data_1um1_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 1um1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -120.39 153.53 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 10' ' ' PHE . 50.7 t -105.86 154.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 29.1 p90 -139.85 138.86 36.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.1 m -83.29 162.39 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -140.77 111.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 16.9 mt-10 -106.57 111.75 24.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.93 170.97 11.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.35 115.22 24.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -38.68 105.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.84 -174.06 12.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.12 20.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -2.7 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.53 48.39 5.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 81.39 -137.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.746 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 165.67 65.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.94 101.1 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.794 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -71.51 73.3 0.77 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.85 142.06 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -137.84 153.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.3 p-10 -70.9 122.78 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.62 -28.76 2.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.42 -33.63 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -73.73 -37.23 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -81.37 155.67 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -42.56 -34.89 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.36 -37.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.34 20.61 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.83 154.25 42.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 163.7 13.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 mm? -93.36 154.51 17.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 67.1 m-85 -151.45 148.43 28.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 59' ' ' ASP . 17.5 mt -69.65 130.68 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 6.5 tt0 -111.68 -42.28 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.71 174.04 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 10.5 mt -144.6 93.71 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -41.17 151.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -58.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.14 51.13 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 36.1 p -128.96 158.68 71.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.5 3.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.048 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.61 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -77.53 -47.61 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -24.62 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.57 -55.55 22.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.15 -58.22 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -43.17 -57.89 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -43.73 113.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -114.14 155.36 26.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.09 130.15 42.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.56 30.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 40' ' ' ILE . 54.7 m-20 -40.44 155.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 26.5 ttt180 -122.53 124.79 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 mm -78.83 154.43 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' LEU . 36.1 mt -128.48 -46.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -129.97 160.85 32.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.57 108.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 58.78 36.95 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.59 64.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.45 106.26 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -52.12 125.5 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -104.79 46.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.66 85.64 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.84 -20.9 16.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 80' ' ' LEU . 9.7 mt -59.83 117.47 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.62 17.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 4.1 t80 -39.86 -47.1 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.89 -54.35 48.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -49.91 -48.13 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -60.41 -52.95 63.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 37.9 t -53.45 -42.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 72' ' ' LEU . 17.3 mt -46.27 -59.49 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.19 -43.1 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -55.06 -56.62 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.35 35.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.638 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.95 -144.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.03 178.15 28.61 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -49.95 -36.08 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -112.75 111.19 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -103.35 122.52 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 9.3 mtt180 -111.71 138.44 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 49.4 m-85 -139.18 137.81 36.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LEU . 19.4 tp -109.05 92.41 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.55 155.8 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.8 137.12 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.7 97.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.6 m -86.9 174.27 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.65 179.44 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.17 -51.73 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.58 -44.76 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -51.8 -44.3 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -69.37 -43.35 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -43.7 -52.1 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.04 -38.26 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.6 mm -68.0 -40.87 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.3 p80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.647 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -126.81 159.0 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.549 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 47.8 t -124.86 162.83 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 42.6 p90 -145.06 138.19 26.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -86.3 151.87 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -130.77 111.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.09 106.66 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -116.91 173.42 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -121.26 122.11 39.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -38.3 137.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.42 -171.05 22.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -115.42 -7.35 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 85.39 49.58 4.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 81.55 -135.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 166.85 73.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -145.11 117.34 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -93.71 79.6 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 143.31 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tt -136.19 160.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.1 t70 -84.09 122.07 28.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.96 -27.32 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.1 mmt -69.69 -40.58 76.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.3 m170 -67.16 -32.52 73.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.8 p -81.96 158.09 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -30.38 2.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 1.8 tp -44.96 -47.27 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.93 24.51 68.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 152.0 44.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 109.361 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.38 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.56 164.9 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.3 mm? -103.91 146.94 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 27.6 m-85 -148.17 160.42 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt -75.04 123.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 8.4 tt0 -100.92 -41.22 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.98 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 11.1 mt -144.59 100.34 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.478 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -48.31 154.87 1.01 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -73.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.0 55.39 2.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 91.2 p -129.64 160.52 64.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -75.01 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . . . -56.26 -40.98 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.43 -49.86 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.34 -36.79 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 40.7 t0 -52.42 -60.26 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.57 -62.45 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.26 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD13 ' CG1' ' A' ' 12' ' ' VAL . 2.4 mp -40.06 115.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -126.78 161.53 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.11 132.03 45.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.96 -24.33 28.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -43.26 154.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.546 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.6 ttt180 -121.18 117.03 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -76.04 150.88 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.6 mt -125.67 -44.16 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.57 163.4 28.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 81' ' ' ILE . 2.2 t -143.15 110.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 60.67 30.36 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.5 40.05 33.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.14 110.65 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 96.8 p -41.18 124.18 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 7.8 tp -103.96 -47.23 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD22 ' NH2' ' A' ' 60' ' ' ARG . 4.2 mt -43.13 110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.08 -52.01 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mt -43.05 126.55 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.44 138.37 7.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 38' ' ' LEU . 12.3 t80 -38.02 -50.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.42 -58.32 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -44.03 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -61.98 -43.67 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.405 HG21 ' CE1' ' A' ' 74' ' ' TYR . 59.7 t -64.08 -49.54 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -45.95 64.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.98 -56.07 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.403 HD13 ' CG2' ' A' ' 64' ' ' VAL . 2.5 mp -66.13 -45.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -43.8 -51.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -91.35 35.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.56 104.79 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . -131.54 177.09 18.82 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 64.57 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.4 mtmt -117.23 117.42 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -119.54 119.94 35.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -115.43 144.83 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 39.0 m-85 -144.39 139.11 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.7 tp -103.31 90.04 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.568 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -105.44 135.13 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.36 -178.9 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -86.07 99.14 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 167.24 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.62 157.21 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 98' ' ' GLU . 9.1 p -49.12 -57.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.403 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 2.7 mm-40 -45.64 -57.21 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -47.69 -47.42 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.53 81.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -45.01 -53.56 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.67 -40.32 75.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.34 -27.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CE1' ' HG2' ' A' ' 94' ' ' LYS . 10.2 p90 -137.74 168.08 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 0.728 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.606 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.21 164.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 33.4 p90 -147.64 140.23 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.1 m -87.43 154.82 20.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.01 111.95 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.92 108.31 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -118.97 177.99 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' ARG . 13.7 tt0 -119.1 116.11 25.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' CZ ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -38.33 101.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.55 -175.33 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -20.08 17.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.58 -11.45 17.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.054 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 51.16 1.01 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 48' ' ' PRO . 0.5 OUTLIER 77.86 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -162.29 59.17 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.09 117.73 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.78 83.33 1.02 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.61 142.53 51.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -124.64 154.28 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 34.7 t0 -76.08 121.12 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.91 14.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.21 -19.03 63.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 35.8 m170 -86.03 -34.69 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.0 p -80.19 152.53 29.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -26.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.587 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 7.0 tp -47.58 -37.01 11.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.61 28.41 45.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.82 152.33 48.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.63 25.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.89 159.96 10.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 mt -99.32 146.04 26.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 16.9 m-85 -141.25 142.97 33.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.87 119.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 28.9 tt0 -109.86 -31.12 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.92 167.04 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 21.6 mt -145.37 108.68 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -55.74 158.73 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.0 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.71 62.77 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.467 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -130.23 169.98 12.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.797 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.439 ' CG ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.06 -37.93 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.98 -67.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.54 -40.15 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.13 -54.84 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.9 -50.13 36.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.93 -46.04 2.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.653 ' NE ' ' HZ1' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -50.58 -42.86 56.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 37.5 mt -55.95 102.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.4 m -109.37 163.04 13.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.26 133.25 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.7 -21.55 32.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -51.4 163.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 33.6 ttt180 -128.6 135.36 49.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -89.96 129.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.5 mt -107.74 -32.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -147.2 157.7 43.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.2 t -137.93 110.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 20.53 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.74 38.9 8.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.27 109.8 12.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -47.66 120.79 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 72' ' ' LEU . 7.1 mt -107.3 60.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -104.6 -71.99 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.55 37.96 3.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 69' ' ' LEU . 13.9 mt -107.28 134.22 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -74.06 152.62 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.75 -39.66 38.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 5.2 mt -73.16 -23.6 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' GLY . 4.6 mmt-85 -80.27 -42.93 22.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -66.75 -52.5 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 13.3 p -50.06 -49.13 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.76 40.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -41.46 -51.23 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.409 HD13 ' CG2' ' A' ' 64' ' ' VAL . 1.3 mp -67.25 -44.89 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . 2.7 mtt180 -50.65 -55.38 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' GLY . 32.1 m80 -91.52 35.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -37.19 -91.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 140.94 55.22 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.31 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLY . 5.5 mtpt -94.17 108.11 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -104.43 120.31 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 13.7 ttp180 -112.85 149.61 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 31.0 m-85 -146.68 127.69 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.606 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 11.5 tp -88.38 92.91 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.507 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 17.2 t -91.33 130.53 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.48 130.55 46.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.653 ' HZ1' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -68.2 96.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 164.53 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.64 172.53 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.42 -46.15 90.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -39.67 -56.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -43.6 -43.66 5.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -66.82 -48.76 67.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -41.91 -53.28 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -54.23 -43.45 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 39' ' ' TYR . 1.7 mm -62.16 -22.95 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.4 m170 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.583 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -104.64 147.81 27.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 10' ' ' PHE . 18.8 t -93.02 159.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 40.9 p90 -151.5 139.27 19.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.0 m -85.7 157.16 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.92 111.89 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 9.4 mt-10 -99.67 103.45 15.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.85 153.41 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.88 114.47 28.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 2.1 ttt-85 -42.22 103.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 -170.71 29.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -11.09 21.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -6.94 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.14 47.38 5.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER 80.11 -165.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -159.6 66.31 0.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 106.32 5.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.66 88.7 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -79.41 143.52 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -134.79 152.31 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.37 121.05 18.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.06 -45.87 5.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 mmt -53.8 -40.8 66.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.98 94.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 p -79.9 154.31 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -42.68 -28.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD1' HG22 ' A' ' 99' ' ' THR . 2.3 tp -39.93 -50.1 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.31 10.77 63.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.56 154.96 37.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.04 39.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.27 164.58 18.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.605 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 10.2 mt -100.79 155.35 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 22.6 m-85 -148.86 151.19 34.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 24.0 mt -66.28 117.66 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.5 tt0 -99.52 -32.72 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.02 167.9 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -144.96 106.48 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 47' ' ' SER . 0.0 OUTLIER -56.93 152.29 28.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 -75.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.17 57.73 0.83 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.3 p -131.46 168.91 15.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.469 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -75.02 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' CB ' ' CD2' ' A' ' 55' ' ' LEU . . . -55.91 -61.09 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -42.15 67.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.0 -48.39 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.13 -53.49 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 103.48 -54.47 0.68 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -38.91 -55.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 0.766 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 HD13 ' CG1' ' A' ' 12' ' ' VAL . 2.5 mp -40.3 119.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -125.17 158.56 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.55 125.17 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.74 -1.06 36.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.56 174.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -140.46 124.11 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.9 mm -84.93 133.52 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.7 mt -111.17 -32.65 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -148.37 147.94 29.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 t -131.12 111.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 64.88 12.13 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 29.93 8.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.45 108.15 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 p -48.91 112.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' CD2' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -92.71 52.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -100.64 132.24 46.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.54 22.98 2.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.19 126.05 33.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.37 139.4 41.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 11.1 t80 -40.48 -40.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -56.49 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.83 -47.41 31.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -60.41 -39.35 87.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 81.6 t -68.18 -46.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 29.3 t0 -62.33 -26.08 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.57 -57.62 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -69.77 -37.0 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 14.3 ttt180 -54.19 -54.11 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CE1' ' HE ' ' A' ' 82' ' ' ARG . 17.5 m170 -91.49 35.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.68 -143.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.12 -179.88 28.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.33 -37.04 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -117.12 111.78 19.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 1.3 mtp -97.91 121.38 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 64.1 mtm180 -108.33 134.64 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 33.4 m-85 -135.27 130.59 35.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.1 88.93 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 21.5 t -89.45 150.69 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.8 152.2 38.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 100.67 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.0 m -82.99 -175.51 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.54 166.0 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 98' ' ' GLU . 11.4 p -61.56 -57.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.423 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 1.0 OUTLIER -40.4 -54.95 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.447 HG22 ' CD1' ' A' ' 33' ' ' LEU . 1.2 m -47.97 -42.99 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -68.87 -46.12 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -43.84 -47.11 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 5.7 mttt -67.7 -36.11 80.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.0 mm -62.53 -33.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.643 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p90 -138.0 148.76 45.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 t -96.33 162.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 54' ' ' ARG . 42.5 p90 -152.18 137.94 17.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.9 m -82.0 155.81 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.7 OUTLIER -136.61 111.09 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.27 102.74 13.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.5 156.63 18.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ARG . 22.1 tt0 -108.58 109.43 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -38.6 106.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.48 -173.95 27.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.43 15.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -110.37 -23.44 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.52 53.94 0.8 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.7 OUTLIER 76.32 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.73 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 162.9 60.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 101.59 6.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.75 65.8 1.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.98 141.17 49.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -135.72 152.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -70.3 124.43 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.61 -40.39 17.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -61.4 -19.3 61.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -35.48 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -82.94 155.39 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.7 -32.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.98 -33.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.97 20.79 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.01 42.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.08 30.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.16 14.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 21.2 mt -99.77 153.13 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 32.3 m-85 -148.52 154.07 39.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 59' ' ' ASP . 18.0 mt -73.55 134.55 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.433 ' HG3' ' CG2' ' A' ' 103' ' ' ILE . 3.1 tt0 -117.64 -38.57 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -145.03 171.2 14.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 13.7 mt -144.76 104.2 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.1 mp -49.29 156.11 1.1 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -64.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.45 51.23 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.7 p -127.24 161.35 54.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.45 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -42.31 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.17 -28.97 28.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.17 -40.3 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -45.68 68.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -48.42 -59.86 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.88 -3.8 49.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 7.7 tpp180 -89.85 -61.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 1.2 mp -39.4 108.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -105.88 161.08 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' CD2' HD11 ' A' ' 43' ' ' LEU . 6.3 mt -73.46 131.38 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -23.3 36.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 40' ' ' ILE . 61.2 m-20 -41.12 160.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -126.33 118.59 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.06 148.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' LEU . 54.6 mt -123.99 -43.9 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.63 160.89 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 69' ' ' LEU . 2.1 t -141.29 112.84 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.0 18.87 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.46 31.8 21.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 106.74 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.2 p -42.2 127.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' HG21 ' A' ' 64' ' ' VAL . 7.3 mt -110.12 37.83 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.38 101.32 12.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.4 -38.11 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.02 127.25 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -164.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -89.34 -38.2 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 8.0 mt -73.23 -23.16 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -85.2 -38.4 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.53 -43.52 63.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 8.8 p -59.69 -48.25 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.418 ' OD2' ' CE1' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -53.16 -50.15 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -43.64 -60.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.61 -47.6 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -48.9 -54.49 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' CE1' ' OD2' ' A' ' 79' ' ' ASP . 40.3 m80 -91.73 35.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.53 -135.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.25 171.36 37.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -40.28 -38.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -113.67 116.69 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.85 120.27 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 144.86 37.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 45.9 m-85 -145.17 130.81 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.7 tp -97.62 91.66 5.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -104.64 148.34 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.39 142.99 39.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 101.49 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.1 174.91 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -83.7 179.29 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 t -72.16 -41.98 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.31 -55.79 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -43.87 -39.55 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.07 64.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.68 -52.18 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.433 ' CG2' ' HG3' ' A' ' 41' ' ' GLN . 2.9 mm -62.93 -31.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 104' ' ' HIS . 2.4 p80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 3.4 p90 -120.41 157.66 28.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.87 161.08 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CE2' HG22 ' A' ' 92' ' ' VAL . 48.7 p90 -148.73 136.6 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -81.51 153.03 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.507 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -131.02 110.81 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 21.0 mt-10 -102.34 109.84 21.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -122.15 170.01 10.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 11.4 tt0 -119.55 138.56 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 108.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.51 -171.07 17.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.8 21.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -106.08 -15.67 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.88 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.402 ' HA ' ' CG ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER 81.05 -139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 168.62 73.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.56 123.14 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.67 82.82 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.31 154.93 37.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tt -149.63 149.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.03 123.28 22.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.26 -23.54 1.9 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -31.44 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -34.79 57.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.7 p -81.99 151.97 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -41.89 -29.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.644 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 31' ' ' THR . 1.9 tp -40.88 -43.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.48 60.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.39 154.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.68 22.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.61 155.75 8.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -94.25 142.42 27.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' CE2' ' HB2' ' A' ' 60' ' ' ARG . 63.8 m-85 -141.7 138.65 32.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mt -54.02 135.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -116.78 -39.84 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.37 167.32 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 9.2 mt -144.91 102.71 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -46.34 152.99 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -65.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.28 49.86 4.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.476 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.5 p -123.49 161.2 47.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.402 ' CG ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.01 -37.23 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.56 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.81 -43.0 14.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.64 -37.68 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 4.6 t70 -55.15 -60.47 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.64 -53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.32 -62.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 2.4 mp -40.66 112.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.9 m -118.1 167.42 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 mt -76.71 125.8 29.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.69 -12.83 46.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.81 137.66 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 13.2 ttt180 -99.83 137.01 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.0 mm -91.67 154.45 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 61.5 mt -124.77 -44.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -136.89 152.03 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.23 105.86 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' CE ' ' A' ' 88' ' ' MET . 8.7 m-20 63.5 19.28 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.08 43.75 4.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 112.67 11.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 0.77 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -56.58 112.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' ' HB1' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -92.45 54.47 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.2 mt -97.02 119.72 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.13 26.35 6.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.74 129.98 34.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -56.42 142.1 40.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -50.12 -28.25 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 16.5 mt -79.16 -31.15 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' GLY . 2.5 mmt-85 -72.99 -43.43 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -69.94 -54.04 15.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 6.4 p -53.36 -39.93 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 5.9 t70 -61.12 -39.31 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.52 -56.49 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.07 -22.14 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 7.4 ttt180 -77.21 -52.29 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -90.32 35.79 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.31 -141.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.56 -166.87 18.5 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -51.13 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -116.52 165.46 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -138.81 121.53 16.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 4.3 mtm180 -107.45 138.43 43.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 42.6 m-85 -136.87 140.47 42.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.4 tp -107.78 90.61 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.03 154.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.96 175.47 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -83.19 100.21 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.24 177.3 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -121.09 179.93 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.4 t -72.06 -54.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -44.05 -49.55 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -48.2 -51.32 25.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -62.8 -45.62 91.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -44.98 -36.72 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.1 -38.53 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.1 mm -64.32 -30.55 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 m170 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -119.79 145.68 46.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 10' ' ' PHE . 38.8 t -101.4 161.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 92' ' ' VAL . 43.1 p90 -144.79 137.51 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 m -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -133.23 111.56 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -104.74 111.44 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -123.42 171.57 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 15.7 tt0 -120.21 150.19 41.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.99 126.89 31.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.35 -175.45 32.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -111.14 -22.78 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.8 55.13 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.6 OUTLIER 72.88 -141.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 176.56 60.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.4 122.13 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.15 0.73 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.55 143.78 38.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 tt -135.99 148.98 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' HIS . 35.9 t0 -65.74 117.85 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.98 -26.67 0.88 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -40.4 60.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.7 m170 -55.0 -38.4 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 156.21 26.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.73 -25.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 35' ' ' ALA . 1.7 tp -46.82 -35.48 6.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 20.12 7.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.127 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' CB ' HD22 ' A' ' 33' ' ' LEU . . . -106.85 152.48 40.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.01 40.67 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 163.27 22.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 7.1 m-85 -129.4 158.3 39.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.468 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 26.5 mt -71.66 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.84 -39.19 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.93 171.12 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 49' ' ' ALA . 8.4 mt -144.46 98.91 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 1.1 tt -43.2 140.45 2.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 146.75 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.86 10.3 38.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.458 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -84.93 170.58 13.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -34.95 3.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 43' ' ' LEU . . . -64.47 -28.42 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -40.95 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.8 -60.26 3.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.07 -60.51 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -41.44 -62.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.9 mp -40.99 114.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -125.24 164.04 21.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 mt -72.81 129.51 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.3 -18.9 35.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -50.5 156.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 6.7 ttt85 -123.49 118.85 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 mm -75.0 150.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' LEU . 64.4 mt -123.19 -44.18 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -134.97 161.58 34.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.04 106.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 62.66 26.35 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.04 41.6 8.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.79 114.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.81 116.56 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 tp -105.36 60.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.01 -77.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.98 41.96 3.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -115.13 131.53 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.42 -163.03 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -90.99 -25.72 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -82.25 -27.66 32.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -80.81 -39.29 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.03 52.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 79' ' ' ASP . 9.9 p -54.08 -50.91 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.436 ' OD2' ' ND1' ' A' ' 83' ' ' HIS . 1.9 t70 -50.93 -47.39 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.53 -50.41 65.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mp -67.22 -27.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -53.56 10.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OD2' ' A' ' 79' ' ' ASP . 40.8 m80 -92.54 36.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -50.54 -103.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 163.02 76.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 66.39 -73.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' GLY . 0.1 OUTLIER -93.16 152.59 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 41.3 mmm -120.87 119.98 34.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 131.96 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 36.2 m-85 -131.68 141.22 49.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.5 tp -105.02 88.66 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.56 147.12 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.61 -179.94 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 98.22 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -171.65 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.4 175.52 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.53 -44.41 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -48.18 -56.7 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -45.96 -46.32 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -57.32 -49.71 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -41.63 -55.0 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -59.22 -38.62 80.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.4 mm -66.06 -22.84 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -107.74 163.77 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.23 165.01 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 38.8 p90 -148.09 138.19 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.5 m -84.21 156.03 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -137.64 112.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -106.96 107.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -120.11 172.55 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 17' ' ' GLY . 15.0 tt0 -119.59 122.24 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -38.8 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . . . -71.19 -175.45 21.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.42 17.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -105.66 -15.03 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 96.23 34.13 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 88.65 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.85 56.77 10.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 101.98 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.29 75.32 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.86 132.12 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 tt -132.41 160.92 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.6 OUTLIER -74.05 117.2 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -40.5 -28.15 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.1 mmt -72.27 -50.16 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -52.28 -42.55 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.549 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.71 156.62 27.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.2 m170 -51.33 -20.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD13 ' CB ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -37.69 -60.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.08 88.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 33' ' ' LEU . . . -98.9 147.13 32.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.39 31.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.92 -176.69 20.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 5.0 mt -105.99 152.56 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -144.32 155.79 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 18.4 mt -70.46 112.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.8 tt0 -90.06 -37.79 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.98 170.72 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 31.3 mt -143.61 102.32 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 150.09 13.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.46 41.33 3.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 6.3 p -127.68 164.46 36.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.6 Cg_endo -74.94 -44.97 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . . . -39.77 -52.8 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.83 -54.49 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.49 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 20.2 t70 -46.65 -60.4 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.74 -64.12 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.35 -60.35 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 40' ' ' ILE . 2.3 mp -40.53 114.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.9 m -124.23 164.73 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.59 140.17 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.76 -23.93 28.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -40.7 154.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 32.9 ttt180 -122.48 120.25 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.1 mm -78.7 150.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' LEU . 70.2 mt -123.66 -44.1 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -132.38 161.13 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.52 105.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.74 24.33 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.71 24.51 58.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 118.97 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -55.18 117.87 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -107.23 59.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -103.16 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.37 35.92 4.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 13.1 mt -104.35 133.91 48.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.94 157.91 53.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -58.03 -30.85 66.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 15.1 mt -78.54 -25.0 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -41.19 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.47 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -67.15 -50.59 60.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 79' ' ' ASP . 14.6 p -52.33 -54.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -52.27 -53.54 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.466 ' HA ' ' CE ' ' A' ' 88' ' ' MET . 1.3 mp -65.31 -41.77 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -55.81 -54.99 37.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' GLY . 35.0 m80 -92.68 35.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -38.63 -92.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.72 55.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 15.7 mmtt 68.58 -63.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' GLY . 12.8 mtmt -94.65 110.23 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -104.25 120.63 41.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -113.04 135.5 53.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 35.5 m-85 -133.19 135.36 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 27.2 tp -102.18 89.37 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.562 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.46 146.63 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.05 176.83 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 108.53 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.56 -178.05 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.21 178.28 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.53 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.74 -46.91 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -47.58 -45.28 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' LYS . . . -60.87 -56.27 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -39.4 -64.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -42.31 -48.75 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.0 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' LYS . 23.7 m170 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 46.6 p90 -116.23 171.56 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.56 164.63 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 47.3 p90 -146.25 142.53 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.4 m -89.07 153.93 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.41 112.26 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 119.82 37.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -134.48 166.62 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -117.46 113.51 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 106.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.7 -175.33 23.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.62 18.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -90.01 -21.98 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.28 49.81 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 74.79 -140.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 171.26 65.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.61 127.32 23.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.89 87.45 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.66 134.73 36.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.2 tt -121.08 154.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 37.1 t0 -70.75 117.38 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.19 -31.47 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -35.94 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.0 m170 -62.98 -37.48 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -80.16 155.15 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -26.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 5.9 tp -47.75 -38.53 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.0 30.11 45.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.79 153.49 54.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 167.55 13.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.59 130.12 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 12.3 m-85 -126.64 149.49 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mt -68.13 122.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 4.4 tp-100 -107.13 -29.29 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.61 169.82 21.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 4.7 mt -143.89 123.99 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.81 159.67 77.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -83.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.17 58.67 0.58 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.465 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 5.2 p -129.54 165.32 33.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.95 -36.12 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -55.25 -63.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.15 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.36 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.12 -55.82 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.86 -61.68 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.93 -56.3 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ARG . 20.1 mt -39.94 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -114.88 159.15 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.6 131.46 45.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.76 -20.78 33.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 47.8 m-20 -45.77 163.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 21.6 ttt180 -133.44 126.28 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -81.87 137.1 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt -112.85 -32.63 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -150.37 150.11 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -129.35 107.33 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 61.86 14.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 41.45 3.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.74 101.75 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -42.64 116.41 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -111.38 61.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -90.8 -82.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.26 35.67 4.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.0 mt -99.92 119.99 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.8 -176.99 5.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.37 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 6.1 mp -46.51 -29.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -49.94 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -69.37 -56.36 7.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 4.3 p -40.07 -41.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.77 -51.72 67.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ALA . 96.7 mt -41.71 -57.65 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.92 -50.38 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -43.74 -56.06 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -92.24 35.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.71 -146.53 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.46 166.66 26.06 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.4 -36.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -108.71 109.03 20.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 77.9 mmm -90.5 119.39 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -114.85 128.93 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 28.0 m-85 -129.69 133.63 47.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 10.1 tp -94.2 89.28 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 59' ' ' ASP . 20.6 t -89.57 132.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.66 134.12 42.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.3 96.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -94.34 159.68 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.53 167.19 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.1 t -58.16 -39.44 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -49.1 -51.25 32.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -49.94 -33.03 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.93 -41.39 29.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -46.71 -50.05 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 6.0 mttt -64.72 -33.57 76.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.84 -33.68 65.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -126.61 169.39 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.601 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.67 163.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 51.8 p90 -147.12 151.23 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 m -90.53 156.68 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -140.8 115.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.33 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -107.36 157.89 17.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -110.43 108.36 18.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -39.6 112.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.75 -168.84 45.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.24 21.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -115.68 -13.24 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 125.7 -118.11 3.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -138.87 13.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 36.98 64.95 0.61 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.36 101.13 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 0.721 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -78.45 73.84 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.41 130.68 36.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tt -126.72 153.16 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' MET . 57.4 t0 -74.14 124.41 26.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.83 -27.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -66.77 -48.07 70.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.9 m-70 -51.9 -40.4 60.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.473 ' CG2' HD11 ' A' ' 103' ' ' ILE . 14.6 p -79.88 -179.09 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.7 -18.27 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 HD12 ' CD ' ' A' ' 102' ' ' LYS . 8.0 tp -49.13 -24.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.73 31.29 1.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.56 152.19 78.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.16 43.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.7 162.38 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.4 mm? -97.51 142.04 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.5 m-85 -144.57 138.68 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 8.0 mt -58.66 133.61 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' GLY . 2.8 tt0 -116.48 -38.3 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.65 167.23 23.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -144.59 125.98 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -75.07 156.12 86.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.99 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.43 43.88 3.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.502 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 51.5 p -118.89 161.86 34.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.2 Cg_endo -74.99 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -51.32 -31.93 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -48.72 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.17 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.85 -49.74 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.67 -54.35 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.32 -56.74 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.518 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.6 mp -42.53 111.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -115.68 164.82 13.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.36 130.42 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.62 -22.83 31.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -45.63 159.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.1 ttt180 -124.96 123.09 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -75.1 153.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' LEU . 44.1 mt -128.38 -44.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -131.87 161.68 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.17 103.56 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.15 12.37 7.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' HA2' ' NH1' ' A' ' 89' ' ' ARG . . . 99.37 23.32 11.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.803 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -59.42 118.92 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -106.78 60.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.1 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.03 23.82 18.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.41 126.77 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.04 156.31 41.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -54.1 -45.61 71.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 4.7 mt -65.3 -26.68 68.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 -78.33 -45.13 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -66.95 -47.76 70.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -59.66 -44.64 93.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' CG ' ' CE1' ' A' ' 83' ' ' HIS . 3.6 t0 -56.47 -48.18 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.14 -54.4 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.14 -42.05 94.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -54.89 -57.95 9.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 79' ' ' ASP . 4.9 m80 -91.52 35.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.39 -140.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.9 173.37 32.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -44.37 -37.39 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 114.97 28.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -115.47 120.05 38.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.7 ttm180 -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 36.0 m-85 -138.73 137.93 37.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 9.1 tp -103.4 91.45 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -100.56 135.59 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.93 145.73 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 95.94 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.05 -176.92 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -100.86 169.99 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ALA . 27.5 m -56.18 -48.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -40.56 -55.84 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.46 -38.67 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -76.4 -37.71 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -48.33 -43.46 33.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' CD ' HD12 ' A' ' 33' ' ' LEU . 3.8 mttt -63.12 -34.5 77.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.473 HD11 ' CG2' ' A' ' 31' ' ' THR . 1.3 mm -75.4 -21.7 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 6.1 p90 -130.66 151.47 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.3 t -100.12 160.18 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 92' ' ' VAL . 29.6 p90 -146.82 139.0 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 161.31 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' ' OD2' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -143.35 112.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -104.79 102.8 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.25 165.95 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' ARG . 17.5 tt0 -116.43 106.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.48 107.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.92 -168.89 43.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -7.92 19.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -107.25 -11.2 15.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 48.54 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER 80.14 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 163.47 86.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.461 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -148.78 101.4 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.88 64.13 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 9.0 mt -73.0 131.6 42.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 31' ' ' THR . 4.9 tt -132.5 163.63 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.5 t70 -78.77 118.03 20.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -40.58 -27.82 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -70.49 -44.3 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.938 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.6 m170 -61.39 -40.09 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.594 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.476 HG22 ' CG2' ' A' ' 26' ' ' ILE . 1.7 p -78.94 152.77 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -39.69 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CA ' ' HB3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -41.52 -62.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 83.33 -10.32 59.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' CB ' HD11 ' A' ' 33' ' ' LEU . . . -82.62 149.62 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 122.62 158.58 10.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.02 137.8 31.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 37' ' ' GLY . 74.5 m-85 -138.93 152.0 47.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.465 HG23 ' CD2' ' A' ' 43' ' ' LEU . 5.0 mt -72.68 131.72 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -111.41 -38.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.65 150.74 33.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -116.57 102.14 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.38 155.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -78.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 56.74 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.492 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 4.0 p -129.8 160.21 66.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.03 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -54.53 -54.36 42.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -56.72 -60.21 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.77 -36.53 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' CG1' ' A' ' 12' ' ' VAL . 1.8 t70 -46.42 -33.31 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.42 -53.96 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -47.93 63.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 HD13 ' CB ' ' A' ' 49' ' ' ALA . 35.2 mt -55.45 104.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -104.51 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.09 127.96 33.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.8 -18.41 40.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.33 158.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.0 ttt180 -123.1 128.59 50.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.0 mm -80.79 154.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.7 mt -127.92 -46.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -132.51 160.8 35.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.27 104.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 62.07 29.14 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 42.31 9.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.17 104.21 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -49.16 115.87 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -94.09 39.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -100.62 102.19 13.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.88 -17.46 54.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 80' ' ' LEU . 11.3 mt -66.6 117.46 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' TYR . . . -59.43 145.93 44.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' GLY . 14.3 t80 -37.63 -48.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.48 -57.25 13.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -52.64 -41.11 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -64.19 -42.84 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 64.2 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 45.5 t0 -58.03 -35.83 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -62.44 -56.17 20.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 mp -69.66 -7.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 32.0 ttt180 -88.38 -50.69 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -93.15 28.57 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.56 -140.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.08 -162.34 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -71.35 -28.39 64.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.08 108.39 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 64.7 mmm -94.56 118.78 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -110.29 130.32 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 41.3 m-85 -129.28 131.83 47.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.5 tp -101.34 89.75 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.528 HG21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.81 157.08 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.37 145.18 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 95.68 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.5 p -79.08 173.89 12.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.56 172.49 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.9 m -62.83 -49.38 83.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.81 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -65.78 -51.36 59.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 104' ' ' HIS . 56.6 mttt -44.42 -47.99 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.86 -38.75 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -72.27 -33.49 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' LYS . 9.7 m170 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 32.6 p90 -134.59 167.26 21.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.582 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.51 164.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 92' ' ' VAL . 32.5 p90 -147.81 147.3 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.401 ' C ' HG23 ' A' ' 12' ' ' VAL . 72.4 m -87.76 154.98 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.537 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -133.98 114.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.34 104.75 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -115.8 170.72 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' ARG . 15.1 tt0 -119.28 115.97 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -37.67 123.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.96 -174.93 27.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.18 9.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -108.36 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.6 47.34 4.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mt 80.76 -52.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.7 52.6 9.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -115.62 101.96 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.02 68.89 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' MET . 20.8 mt -76.44 132.97 39.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tt -128.34 159.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.31 131.7 40.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -59.36 -15.74 32.5 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.91 -41.32 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -67.08 -34.68 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -80.01 154.08 28.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -40.71 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 2.2 tp -40.44 -48.39 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 65.08 9.78 43.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.42 154.24 40.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.17 29.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 171.92 15.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.3 mm? -103.04 149.45 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CE2' ' CD2' ' A' ' 33' ' ' LEU . 6.9 m-85 -141.86 145.45 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 29.3 mt -66.3 122.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.5 tt0 -101.96 -37.15 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -147.9 178.07 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.4 mt -144.49 101.74 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -45.38 142.22 3.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.05 152.99 41.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.01 19.4 7.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.17 171.24 6.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.043 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -75.0 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -16.0 59.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.42 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 7.9 t70 -52.29 -59.5 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.58 -60.7 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.583 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.22 -60.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 12' ' ' VAL . 1.5 mp -40.13 110.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.57 157.86 21.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.58 131.32 45.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.2 -24.87 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 92' ' ' VAL . 83.0 m-20 -42.02 150.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 19.0 ttt180 -120.48 118.83 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.3 mm -74.92 147.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -122.46 -42.68 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -132.53 156.37 46.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 81' ' ' ILE . 2.1 t -139.99 111.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.36 18.99 9.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.94 44.83 4.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.96 121.68 9.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -105.01 60.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' LEU . 94.7 mt -98.42 133.68 42.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.0 29.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.7 mt -91.45 120.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.88 -176.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 78' ' ' VAL . 46.5 t80 -68.33 -66.17 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mp -45.51 -44.32 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -53.85 -48.68 69.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.443 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -70.34 -34.34 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 74' ' ' TYR . 61.4 t -67.08 -40.34 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.36 -29.05 70.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.86 -56.62 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 64' ' ' VAL . 3.2 mp -71.56 -13.4 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -71.5 -47.15 57.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -91.52 33.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . -126.68 104.31 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.73 164.48 21.11 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.33 -77.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 119.88 40.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -126.42 119.96 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -105.28 144.03 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 46.9 m-85 -142.51 135.6 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 9.3 tp -106.16 93.4 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.592 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.92 129.39 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.61 148.28 27.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -79.18 100.31 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.81 167.83 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -85.76 179.64 7.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.05 -40.24 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -45.37 -42.96 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -58.13 -44.51 87.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.01 86.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -47.92 -46.24 31.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -66.55 -32.74 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.72 -33.98 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 10.5 p90 -139.22 143.95 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 10' ' ' PHE . 25.9 t -99.38 164.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 92' ' ' VAL . 35.1 p90 -149.3 141.97 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 m -90.83 153.18 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.96 118.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -109.14 103.27 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' HG13 ' A' ' 12' ' ' VAL . 3.2 mm? -105.92 159.85 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -113.08 112.13 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -38.81 114.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.65 -165.67 41.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.45 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -113.18 -20.2 11.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.463 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 136.07 -107.57 0.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.7 OUTLIER -141.2 14.78 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.515 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 38.27 55.53 1.98 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.93 119.7 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.44 85.04 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -85.88 120.66 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 30' ' ' HIS . 4.5 tt -124.59 160.02 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.8 157.78 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -84.1 23.83 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.35 -52.12 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -72.56 -31.91 65.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.595 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 30' ' ' HIS . 7.8 p -79.53 148.69 31.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -40.77 -29.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 3.7 tp -38.63 -34.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.35 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -127.38 152.05 75.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.85 18.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 140.64 155.51 6.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 mp -93.8 155.31 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 61.1 m-85 -159.28 147.79 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 25' ' ' LEU . 15.3 mt -64.42 116.9 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -101.74 -35.39 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.27 159.91 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 23' ' ' MET . 7.4 mt -145.65 116.84 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.503 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -65.25 151.63 93.52 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.01 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.22 52.03 4.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.515 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -129.99 171.29 9.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.988 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 55' ' ' LEU . . . -44.73 -55.28 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.19 80.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.98 -32.49 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -45.54 76.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -48.82 3.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.57 -55.67 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 6.7 mt -48.77 115.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 m -121.89 160.16 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.67 125.08 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.9 -6.53 31.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 21.1 m-20 -62.84 167.71 4.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.2 ttt180 -131.37 123.95 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -81.21 146.92 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 91' ' ' LEU . 35.0 mt -120.69 -44.22 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -133.5 161.8 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 81' ' ' ILE . 2.3 t -142.37 110.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.37 14.31 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.88 36.72 6.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.96 113.68 17.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 p -45.25 118.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 38' ' ' LEU . 1.2 tp -113.24 61.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.81 -84.08 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.6 41.58 3.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.9 130.27 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -65.38 150.34 51.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -52.58 -20.72 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.22 -24.97 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -84.55 -39.29 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -71.04 -44.16 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.06 -47.9 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.83 -45.21 78.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.0 mt -49.63 -60.28 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 64' ' ' VAL . 2.4 mp -64.1 -48.98 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -48.78 -54.91 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -90.97 35.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.98 -142.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.43 178.87 33.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -38.06 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.7 113.68 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -112.55 120.41 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.05 147.46 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 39.6 m-85 -144.06 127.99 17.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 23.6 tp -98.23 88.73 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -102.75 156.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.45 156.88 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 96.7 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.33 169.43 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -179.96 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -74.34 -46.57 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.09 -47.96 11.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -51.98 -53.55 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -53.37 -53.84 45.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -40.13 -55.81 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 8.0 mttt -54.13 -42.93 70.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.6 mm -64.92 -40.12 87.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.5 m170 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.8 t -92.82 155.75 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 37.6 p90 -149.77 137.82 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 89' ' ' ARG . 72.9 m -85.7 155.64 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.81 112.39 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -102.91 117.17 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.97 177.58 7.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -115.24 111.46 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -38.71 114.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.01 -171.95 25.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.55 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -121.48 28.23 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 72.91 42.94 43.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.2 OUTLIER 82.01 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' LEU . . . 130.02 67.06 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.96 130.57 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -97.69 84.62 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -83.75 137.88 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 30' ' ' HIS . 1.4 tt -143.71 147.55 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.57 156.99 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -81.53 40.86 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mmt -103.85 -51.34 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.614 ' NE2' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -79.53 -28.05 41.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.605 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.536 ' CG2' ' CD2' ' A' ' 30' ' ' HIS . 16.5 p -79.14 156.34 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -49.42 -22.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.651 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.613 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.4 tp -38.28 -55.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.77 23.69 76.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -138.08 143.37 39.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.35 22.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.34 -157.32 28.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.54 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 2.6 mm? -132.51 143.59 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CZ ' ' CD2' ' A' ' 33' ' ' LEU . 6.6 m-85 -160.66 145.89 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 16.3 mt -68.24 135.55 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 28.4 tt0 -109.6 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.62 152.23 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -121.19 91.68 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -40.09 149.88 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.49 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.39 52.22 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.5 p -129.52 158.24 73.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.89 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -60.95 -49.38 77.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.34 -38.26 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.58 -51.67 20.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.97 -44.12 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -62.27 -43.96 97.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.774 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 92' ' ' VAL . 33.9 mt -56.1 103.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -101.79 165.41 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mt -79.4 125.21 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ASP . . . 107.07 -12.95 40.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' GLY . 6.7 m-20 -46.52 172.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -133.38 117.18 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.02 136.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 93' ' ' ALA . 53.5 mt -112.74 -34.91 5.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 91' ' ' LEU . 14.3 mt-10 -145.23 160.47 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 80' ' ' LEU . 2.4 t -142.43 108.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER 75.66 -56.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.77 39.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 2.7 t -133.46 110.99 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -56.5 121.24 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -98.37 47.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 mt -100.87 71.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.66 -17.97 10.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.47 118.16 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -49.2 137.75 18.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 78' ' ' VAL . 13.9 t80 -37.9 -51.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.75 -49.47 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -53.95 -51.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -58.75 -49.22 78.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 74' ' ' TYR . 58.5 t -47.27 -41.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' LEU . 16.7 t70 -57.91 -55.9 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 0.8 OUTLIER -38.96 -65.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.55 -53.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -44.32 -56.0 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.6 m170 -95.17 36.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -59.68 -144.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.68 34.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.5 -37.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -109.31 109.39 20.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -100.99 119.52 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 11' ' ' THR . 31.5 ttm180 -112.72 141.47 46.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 46.5 m-85 -140.25 134.12 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 63' ' ' GLU . 33.1 tp -96.93 90.99 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 t -88.83 150.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -118.98 143.18 47.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 95.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -86.75 169.47 12.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -87.21 173.79 9.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.421 HG11 ' CD ' ' A' ' 101' ' ' LYS . 69.9 t -67.86 -49.53 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.04 -55.54 3.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -38.32 -58.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -54.91 -53.54 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' CD ' HG11 ' A' ' 97' ' ' VAL . 17.3 mtpt -44.85 -47.08 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 17.7 mttt -59.26 -37.67 78.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.9 mm -70.1 -30.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 18.9 m170 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 16.3 p90 -124.73 142.3 51.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 10' ' ' PHE . 49.4 t -93.86 154.62 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 33.2 p90 -142.84 138.1 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 m -84.55 162.5 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.487 ' CG1' ' CD1' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -142.54 111.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.93 116.98 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 1.1 mt -128.88 170.69 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.41 124.56 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.01 107.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.6 -176.76 16.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -102.73 -18.54 15.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.07 46.04 2.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.07 -156.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.97 55.18 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.91 101.33 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.12 69.71 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 12.4 mt -74.92 154.98 37.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 tt -149.87 154.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' MET . 33.6 t0 -73.97 120.4 19.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.8 -29.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.6 mmm -63.74 -49.35 73.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.5 m170 -56.27 -33.09 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -86.03 171.66 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.378 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -16.41 62.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 2.3 tp -50.22 -29.38 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.08 25.59 1.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -127.78 145.96 56.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 134.86 18.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.62 27.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.38 140.33 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.89 169.62 21.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 25' ' ' LEU . 53.0 mt -93.22 130.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 3.3 tt0 -108.29 -37.67 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -148.02 175.5 10.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.6 mt -140.75 98.03 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.478 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -44.34 141.96 2.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.99 148.53 35.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.56 12.73 34.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 p -93.06 170.33 8.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.06 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.35 53.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.45 -43.58 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.2 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 12.4 t70 -60.4 -57.37 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.24 -59.4 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.86 -56.22 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 1.9 mp -40.34 114.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -117.55 179.81 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.23 130.53 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.83 -18.08 44.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -44.27 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -134.65 119.99 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.5 mm -76.83 129.37 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.14 -36.99 6.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -136.03 161.32 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 t -144.87 113.74 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 56.78 33.04 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 26.72 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -119.73 104.53 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.027 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' SER . 43.2 m -38.4 118.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.513 ' CD2' ' CB ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -94.23 44.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.4 mt -102.64 115.76 31.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 105.06 -56.94 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.02 114.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.07 -142.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.579 1.174 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 64.8 t80 -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' C ' HG11 ' A' ' 78' ' ' VAL . 6.7 mt -89.04 -37.09 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -58.05 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -53.22 -49.92 65.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 5.4 p -60.82 -42.63 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.79 -39.5 77.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -57.32 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 64' ' ' VAL . 2.2 mp -64.8 -36.3 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HG2' ' CD2' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -63.68 -51.23 65.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 59.1 m170 -90.89 35.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.66 -144.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.94 62.05 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 -78.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -67.09 107.53 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 71.0 mmm -114.38 120.22 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -117.33 143.47 45.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 15.7 m-85 -142.38 138.84 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.85 90.02 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 t -87.7 150.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.61 144.86 47.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.7 96.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.34 173.75 8.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.9 166.28 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.6 -50.76 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.7 mm-40 -40.94 -58.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -40.91 -44.15 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -73.67 -39.92 64.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' GLU . 39.6 mttt -48.04 -38.33 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 13.6 mttt -74.03 -33.26 63.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.7 mm -73.96 -31.34 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 9.9 p80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 27.3 p90 -101.14 138.46 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 10' ' ' PHE . 25.1 t -92.35 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 92' ' ' VAL . 37.1 p90 -142.8 138.88 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -83.89 162.3 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -142.13 112.72 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.36 103.12 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -109.22 158.49 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -112.13 110.44 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -38.85 106.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.95 -171.65 31.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.32 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -114.27 -6.01 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 86.49 48.32 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER 83.32 -137.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 169.68 75.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -144.31 122.81 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.71 78.37 0.91 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 149.15 47.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 4.4 tt -143.37 153.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.61 123.86 26.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.18 -22.9 2.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -27.89 62.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -78.46 -38.13 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 p -79.85 151.04 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLY . 4.3 m80 -39.61 -35.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.401 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 1.0 OUTLIER -39.77 -32.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 46.03 24.78 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.53 155.31 43.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.35 30.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.6 172.8 13.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 27.2 mt -113.33 145.96 40.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 9.9 m-85 -143.83 161.84 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mt -75.55 123.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 3.8 tt0 -104.32 -31.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.2 166.14 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 57' ' ' LEU . 4.2 mt -143.0 123.86 14.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -64.63 159.14 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -70.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.3 4.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 3.8 p -128.98 162.7 50.39 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.809 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.46 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -74.96 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.11 64.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -94.4 -32.6 13.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.32 71.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -59.47 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 108.11 -53.15 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -38.42 -49.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD12 ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -58.68 112.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 135.64 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 HD11 ' N ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -40.42 133.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.46 34.79 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -74.62 157.61 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 16.5 ttt180 -126.35 119.9 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.94 146.9 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.8 mt -118.27 -48.18 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -128.92 163.68 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 t -144.72 106.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.408 ' ND2' ' HA2' ' A' ' 84' ' ' GLY . 15.5 m-20 62.75 25.26 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.79 30.38 35.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.8 103.57 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -46.86 120.68 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -105.23 44.47 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.53 83.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.88 -16.31 10.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 80' ' ' LEU . 6.9 mt -67.83 124.15 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.51 160.87 3.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.473 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 16.0 t80 -55.39 -47.74 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.37 -52.54 63.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -50.26 -37.68 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -72.78 -49.32 31.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 44.5 t -51.29 -47.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.24 -50.0 75.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 72' ' ' LEU . 22.2 mt -46.18 -50.82 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.0 -42.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -52.06 -55.2 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -92.61 35.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.63 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' ND2' ' A' ' 65' ' ' ASN . . . -37.55 -91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.03 54.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 71.46 -63.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -97.79 111.84 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.25 133.9 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 38.5 m-85 -131.69 133.99 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 tp -104.26 89.52 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.45 156.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.26 157.58 18.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 96.06 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.11 178.89 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.1 160.69 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.402 ' CG1' ' H ' ' A' ' 98' ' ' GLU . 7.5 p -52.06 -57.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 101' ' ' LYS . 11.5 mt-10 -42.76 -57.66 2.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -45.03 -35.06 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.41 -42.03 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 98' ' ' GLU . 20.9 mttt -45.65 -51.75 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 4.3 mttt -56.1 -40.61 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 mm -63.9 -17.53 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 5.1 p90 -130.67 155.72 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 10' ' ' PHE . 38.1 t -103.37 163.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 92' ' ' VAL . 37.2 p90 -147.4 137.92 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -83.88 159.9 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -138.51 111.79 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -104.22 108.51 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 1.3 mt -122.18 174.06 7.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ARG . 10.6 tt0 -126.23 112.82 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -37.96 108.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 -173.06 48.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.87 8.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -110.3 -22.38 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 46.15 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 0.7 OUTLIER 77.73 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 44' ' ' LEU . . . 74.53 63.6 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.75 104.7 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.781 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.33 73.03 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 40' ' ' ILE . 12.3 mt -83.32 129.44 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tt -125.93 158.21 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -73.53 120.57 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.54 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -41.96 -29.69 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.95 -42.83 80.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.1 m-70 -61.05 -38.64 86.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 p -81.26 155.77 25.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -44.27 -30.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.565 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 1.3 tp -40.02 -41.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 14.22 31.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.03 38.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.43 40.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.09 170.82 25.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.2 mm? -100.57 148.55 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 19.9 m-85 -143.24 148.51 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.474 HG12 ' CD2' ' A' ' 25' ' ' LEU . 7.3 mt -70.96 128.99 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.7 OUTLIER -113.21 -29.46 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -114.41 136.12 53.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.14 137.73 37.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.46 39.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 15.88 23.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -97.33 166.61 13.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -36.01 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.63 -62.56 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 43' ' ' LEU . . . -58.44 -47.49 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.32 -46.42 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 24.6 t70 -46.85 -40.2 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . 87.53 -55.51 4.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.09 -41.21 16.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.493 HD12 ' CG1' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -66.51 105.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -126.42 143.41 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -44.49 137.25 3.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.28 -24.57 28.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.38 153.74 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 24.9 ttt180 -124.58 122.8 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.35 151.5 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 56.8 mt -123.46 -46.9 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -131.78 158.47 41.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.09 111.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.32 12.89 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.72 37.31 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.97 112.06 15.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -51.84 117.92 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -93.65 31.52 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.1 mt -94.4 99.86 11.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.97 -32.43 7.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' CD1' HD11 ' A' ' 80' ' ' LEU . 13.5 mt -51.51 127.1 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.47 -161.95 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.63 -33.88 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 13.3 mt -78.46 -22.96 46.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -83.11 -43.85 15.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -68.48 -44.29 75.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -61.02 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.29 -42.91 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 72' ' ' LEU . 25.3 mt -51.83 -58.76 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.61 -48.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -50.37 -53.76 26.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.06 35.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.75 -141.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.03 32.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -45.46 -37.91 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -108.96 116.64 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.56 120.1 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -109.17 133.86 52.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 36.3 m-85 -131.48 135.84 47.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.3 tp -106.69 90.23 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.24 149.24 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.49 173.52 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -88.7 97.39 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -84.87 176.42 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -122.08 178.81 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 100' ' ' ALA . 34.1 m -60.38 -52.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -51.93 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -53.03 -41.01 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -43.91 -44.59 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -72.48 -38.37 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.14 -24.88 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.7 m170 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 9' ' ' VAL . 2.5 t80 -131.27 161.0 33.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.609 ' O ' ' CE1' ' A' ' 8' ' ' TYR . 37.7 t -130.68 151.05 35.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 36.5 p90 -141.46 137.87 32.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -85.37 158.42 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' CG1' ' OD2' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -140.04 120.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -109.95 102.67 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.3 158.22 17.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -102.27 105.45 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.92 126.75 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.36 -175.07 31.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.22 21.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -112.44 -24.06 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 145.77 -116.04 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER -141.26 14.55 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 47.45 59.05 6.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.403 ' SD ' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -136.51 100.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -69.44 70.36 0.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 40' ' ' ILE . 18.2 mt -77.13 135.29 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -129.4 155.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' HIS . 49.9 t0 -72.3 116.93 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.07 0.3 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.95 -47.69 79.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -54.61 -40.41 68.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.586 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -79.91 149.72 30.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.2 t60 -39.04 -32.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.64 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' ALA . 1.6 tp -41.13 -29.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 42.92 26.25 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' LEU . . . -113.76 151.77 44.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.1 25.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.45 165.07 11.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -100.09 150.87 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.6 m-85 -150.89 145.95 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 25' ' ' LEU . 30.9 mt -63.11 142.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -124.52 -40.97 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.12 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD11 ' CA ' ' A' ' 50' ' ' ALA . 2.3 mm? -119.27 111.62 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -61.92 141.45 95.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 144.53 30.42 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.01 13.58 59.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.494 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -93.6 172.22 6.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' CA ' HD13 ' A' ' 55' ' ' LEU . . . -44.64 -45.87 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' CA ' HD11 ' A' ' 43' ' ' LEU . . . -61.04 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.07 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -47.25 -53.84 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.2 -62.4 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -44.65 -41.03 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' CA ' ' A' ' 49' ' ' ALA . 34.9 mt -58.93 108.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.1 m -104.36 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 mt -77.84 126.54 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.44 -14.67 39.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 85.1 m-20 -45.89 167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.3 ttt180 -135.45 134.95 40.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 mm -87.29 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.54 -40.76 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -138.5 161.4 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 2.2 t -150.28 113.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.28 15.26 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.72 19.83 50.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.9 102.79 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -39.41 111.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -112.88 63.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' GLY . 40.8 mt -84.36 98.89 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' LEU . . . 33.81 55.92 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 76' ' ' ARG . 0.2 OUTLIER -84.18 154.18 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -31.94 125.07 0.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -47.25 -44.99 23.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' C ' HG11 ' A' ' 78' ' ' VAL . 6.0 mt -68.29 -23.33 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.53 -55.92 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.52 -42.06 74.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 75' ' ' LEU . 9.8 p -62.89 -46.79 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.33 -54.49 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 mt -41.11 -62.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.42 -53.98 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -53.27 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -91.48 36.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -129.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -172.02 169.44 42.53 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' GLY . 67.3 mttt -40.33 -36.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 113.72 24.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -111.38 129.28 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.1 tmt_? -116.22 144.73 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 38.1 m-85 -144.58 124.93 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -88.29 92.18 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 11.2 t -88.26 153.23 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.92 134.18 54.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 95.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -176.89 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.74 155.52 17.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.2 m -44.32 -47.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -40.26 -61.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.42 -47.52 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.55 -44.58 77.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -47.01 -57.07 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -57.86 -35.31 70.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -66.8 -39.04 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 33.5 p90 -110.89 168.9 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.591 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.66 162.52 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CE1' HG23 ' A' ' 92' ' ' VAL . 33.8 p90 -145.9 149.25 33.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.7 m -90.96 158.09 16.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.87 111.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.08 113.51 26.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.55 170.48 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.07 119.0 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 111.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.32 -175.93 37.8 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.52 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -101.64 -23.57 14.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.22 1.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 75.14 -140.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 174.55 78.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.2 mtm -150.54 128.49 11.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -96.21 78.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -76.93 155.55 32.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.641 ' CD1' ' NE2' ' A' ' 30' ' ' HIS . 1.6 tt -164.2 147.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -71.45 155.94 40.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -83.74 37.3 2.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.0 mmm -102.59 -51.83 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.641 ' NE2' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -76.0 -28.9 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 30' ' ' HIS . 16.9 p -80.07 158.06 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.14 -23.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.513 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 6.4 tp -39.47 -59.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.97 16.62 79.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -131.0 142.35 45.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.76 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.563 1.822 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.29 -160.53 34.09 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -129.76 140.21 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -159.25 159.41 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 25' ' ' LEU . 36.5 mt -82.1 139.54 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -116.02 -39.78 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.48 164.51 33.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 3.2 mm? -123.42 99.36 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -40.17 142.52 0.71 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 158.39 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.14 27.3 0.64 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.467 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -101.66 171.13 5.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.048 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 43' ' ' LEU . . . -52.72 -58.0 8.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' HD11 ' A' ' 43' ' ' LEU . . . -52.45 -41.54 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.23 77.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 19.1 t70 -47.21 -38.91 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -55.02 4.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.4 -48.3 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.3 mt -55.79 104.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -101.4 169.6 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.18 132.98 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.18 -23.49 33.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 99.0 m-20 -43.33 159.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 ttt180 -122.07 122.32 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 mm -77.18 146.68 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' LEU . 41.6 mt -121.65 -45.27 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -130.97 162.17 30.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.62 105.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.95 18.8 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.67 33.02 28.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 102.08 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 m -38.94 127.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 77' ' ' ALA . 10.5 mt -116.75 36.25 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.6 mt -92.87 108.57 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.66 -25.67 22.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 69' ' ' LEU . 8.6 mt -67.15 135.43 53.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.99 149.28 51.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CE1' HG21 ' A' ' 78' ' ' VAL . 10.0 t80 -42.66 -50.84 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.6 -57.42 11.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -52.07 -38.34 56.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 69' ' ' LEU . . . -69.51 -38.89 77.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' A' ' 74' ' ' TYR . 79.5 t -57.18 -53.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 11.2 t70 -47.08 -50.37 19.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -48.86 -58.1 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.07 -42.49 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -54.43 -57.86 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' ND1' ' OD1' ' A' ' 79' ' ' ASP . 26.5 m80 -91.3 36.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -36.63 -92.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.49 58.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp 68.25 -64.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.1 mttp -93.72 111.48 23.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -102.59 119.56 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.3 ttt180 -113.34 150.43 32.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 33.3 m-85 -148.62 128.95 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.591 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 20.9 tp -99.12 92.84 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.95 139.43 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -95.44 141.89 28.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.21 95.72 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 167.12 11.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.94 169.53 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.68 -38.1 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.6 mt-10 -46.79 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLU . 1.9 m -38.69 -39.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -77.56 -45.45 25.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' GLU . 7.8 mttm -39.77 -49.76 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 1.1 mttt -61.88 -45.65 92.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -62.17 -29.05 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' ALA . 55.0 m170 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 94' ' ' LYS . 14.0 p90 -108.89 140.45 42.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 10' ' ' PHE . 39.6 t -94.6 158.97 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 34.4 p90 -148.07 138.33 22.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -85.2 162.8 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -139.93 111.19 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -107.13 108.15 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -116.53 171.04 8.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.43 117.78 32.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LYS . 2.5 ttt180 -40.78 120.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.42 -173.72 33.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 m -96.23 -14.07 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.1 41.36 6.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 86.77 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 55.54 22.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.092 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' LEU . 1.2 ttm -120.37 101.83 8.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -68.69 66.75 0.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 40' ' ' ILE . 17.7 mt -71.39 144.9 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 3.5 tt -144.16 152.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.6 t0 -72.57 126.02 28.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.38 -27.42 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 35' ' ' ALA . 15.4 mmm -70.83 -44.88 65.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ASP . 11.2 m170 -61.03 -13.57 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 p -107.34 159.79 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -54.49 -20.23 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 2.1 tp -44.69 -35.82 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.04 23.46 31.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -125.18 146.97 55.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.97 177.02 26.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.595 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 3.9 mm? -113.54 141.73 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 7.9 m-85 -149.05 159.05 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 25' ' ' LEU . 63.3 mt -82.44 121.84 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -95.87 -31.65 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.57 165.47 35.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.5 mt -143.09 130.22 20.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 156.27 79.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.24 49.64 4.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 p -128.95 160.41 63.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.4 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.1 Cg_endo -75.04 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.7 -21.71 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.32 -32.57 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.17 -42.24 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.0 t70 -55.11 -60.4 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.61 -52.73 0.62 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.11 -45.45 22.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.285 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 HD11 ' CG1' ' A' ' 12' ' ' VAL . 1.5 mp -55.76 108.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -133.74 142.6 48.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.4 mp -44.47 125.54 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.7 -12.65 20.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD2' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -52.23 164.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -132.47 112.02 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -76.72 127.64 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt -109.91 -32.12 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -145.28 159.08 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.13 109.92 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.43 19.02 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.93 21.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 126.3 52.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 p -57.42 131.13 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.425 HD23 ' CB ' ' A' ' 77' ' ' ALA . 11.9 mt -123.66 54.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.27 -68.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.23 12.66 67.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -92.21 117.87 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.83 -166.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.567 ' CD2' HG21 ' A' ' 78' ' ' VAL . 79.3 t80 -75.48 -67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -45.87 -44.63 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -54.75 -43.82 73.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' CB ' HD23 ' A' ' 69' ' ' LEU . . . -78.62 -32.29 47.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 74' ' ' TYR . 56.6 t -66.32 -46.79 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.78 -33.79 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.55 -54.01 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.485 ' HA ' ' CE ' ' A' ' 88' ' ' MET . 2.0 mp -67.51 -27.99 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.19 -55.12 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.55 35.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.49 -135.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -158.5 -176.59 30.72 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.4 mttm -39.31 -47.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 134.21 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 2.0 mtp -107.09 128.28 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -103.54 138.93 39.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 29.2 m-85 -138.84 137.35 36.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.5 tp -96.06 89.15 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.513 ' CG1' ' OD2' ' A' ' 59' ' ' ASP . 35.7 t -89.06 157.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.43 167.15 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.45 95.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.6 m -82.18 167.56 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.16 167.71 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.81 -51.3 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.11 -49.63 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -49.96 -43.79 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.34 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -46.78 -55.15 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.68 -39.19 73.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.3 mm -63.37 -36.67 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.584 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.93 -58.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t 62.5 156.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 -172.16 37.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 m 67.08 143.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 0.719 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -72.06 174.55 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.58 -122.74 2.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.092 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -120.39 153.53 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 10' ' ' PHE . 50.7 t -105.86 154.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 29.1 p90 -139.85 138.86 36.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.1 m -83.29 162.39 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -140.77 111.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 16.9 mt-10 -106.57 111.75 24.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.93 170.97 11.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.35 115.22 24.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -38.68 105.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.84 -174.06 12.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.12 20.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -2.7 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.53 48.39 5.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 81.39 -137.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.746 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 165.67 65.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.94 101.1 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.794 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -71.51 73.3 0.77 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.85 142.06 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -137.84 153.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.3 p-10 -70.9 122.78 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.62 -28.76 2.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.42 -33.63 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -73.73 -37.23 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 p -81.37 155.67 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -42.56 -34.89 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 tp -40.36 -37.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.34 20.61 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.83 154.25 42.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 163.7 13.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 mm? -93.36 154.51 17.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 67.1 m-85 -151.45 148.43 28.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 59' ' ' ASP . 17.5 mt -69.65 130.68 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 6.5 tt0 -111.68 -42.28 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.71 174.04 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 10.5 mt -144.6 93.71 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -41.17 151.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.481 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -58.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.14 51.13 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 36.1 p -128.96 158.68 71.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.5 3.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.048 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.61 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -77.53 -47.61 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -24.62 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.57 -55.55 22.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.15 -58.22 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -43.17 -57.89 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -43.73 113.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -114.14 155.36 26.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.09 130.15 42.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.56 30.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 40' ' ' ILE . 54.7 m-20 -40.44 155.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 26.5 ttt180 -122.53 124.79 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 mm -78.83 154.43 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' LEU . 36.1 mt -128.48 -46.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -129.97 160.85 32.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.57 108.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 58.78 36.95 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.59 64.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.45 106.26 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -52.12 125.5 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -104.79 46.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.66 85.64 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.84 -20.9 16.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 80' ' ' LEU . 9.7 mt -59.83 117.47 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.62 17.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.49 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 4.1 t80 -39.86 -47.1 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.89 -54.35 48.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -49.91 -48.13 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -60.41 -52.95 63.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 37.9 t -53.45 -42.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 72' ' ' LEU . 17.3 mt -46.27 -59.49 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.19 -43.1 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -55.06 -56.62 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.35 35.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.638 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.95 -144.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.03 178.15 28.61 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -49.95 -36.08 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -112.75 111.19 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -103.35 122.52 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 9.3 mtt180 -111.71 138.44 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 49.4 m-85 -139.18 137.81 36.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LEU . 19.4 tp -109.05 92.41 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.55 155.8 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.8 137.12 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.7 97.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.6 m -86.9 174.27 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.65 179.44 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.17 -51.73 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.58 -44.76 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -51.8 -44.3 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -69.37 -43.35 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -43.7 -52.1 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.04 -38.26 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.6 mm -68.0 -40.87 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -129.66 96.93 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.647 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.79 91.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -81.75 -169.0 42.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.57 18.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m 59.72 113.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.952 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 t -53.74 119.23 4.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -155.9 -58.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -176.1 165.55 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.6 146.42 5.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.31 167.76 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.91 163.33 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.35 66.61 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -126.81 159.0 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.549 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 47.8 t -124.86 162.83 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 42.6 p90 -145.06 138.19 26.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -86.3 151.87 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -130.77 111.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.09 106.66 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -116.91 173.42 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -121.26 122.11 39.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -38.3 137.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.42 -171.05 22.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -115.42 -7.35 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 85.39 49.58 4.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 81.55 -135.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 166.85 73.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -145.11 117.34 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -93.71 79.6 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 143.31 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tt -136.19 160.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.1 t70 -84.09 122.07 28.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.96 -27.32 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.1 mmt -69.69 -40.58 76.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.3 m170 -67.16 -32.52 73.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.8 p -81.96 158.09 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -30.38 2.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 1.8 tp -44.96 -47.27 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.93 24.51 68.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 152.0 44.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 109.361 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.38 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.56 164.9 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.3 mm? -103.91 146.94 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 27.6 m-85 -148.17 160.42 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt -75.04 123.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 8.4 tt0 -100.92 -41.22 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.98 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 11.1 mt -144.59 100.34 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -48.31 154.87 1.01 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -73.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.0 55.39 2.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 91.2 p -129.64 160.52 64.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -75.01 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . . . -56.26 -40.98 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.43 -49.86 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.34 -36.79 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 40.7 t0 -52.42 -60.26 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.57 -62.45 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.26 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD13 ' CG1' ' A' ' 12' ' ' VAL . 2.4 mp -40.06 115.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -126.78 161.53 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.11 132.03 45.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.96 -24.33 28.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -43.26 154.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.546 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.6 ttt180 -121.18 117.03 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -76.04 150.88 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.6 mt -125.67 -44.16 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.57 163.4 28.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 81' ' ' ILE . 2.2 t -143.15 110.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 60.67 30.36 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.5 40.05 33.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.14 110.65 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 96.8 p -41.18 124.18 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 7.8 tp -103.96 -47.23 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD22 ' NH2' ' A' ' 60' ' ' ARG . 4.2 mt -43.13 110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.08 -52.01 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mt -43.05 126.55 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.44 138.37 7.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 38' ' ' LEU . 12.3 t80 -38.02 -50.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.42 -58.32 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -44.03 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -61.98 -43.67 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.405 HG21 ' CE1' ' A' ' 74' ' ' TYR . 59.7 t -64.08 -49.54 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -45.95 64.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.98 -56.07 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.403 HD13 ' CG2' ' A' ' 64' ' ' VAL . 2.5 mp -66.13 -45.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -43.8 -51.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -91.35 35.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.56 104.79 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . -131.54 177.09 18.82 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 64.57 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.4 mtmt -117.23 117.42 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -119.54 119.94 35.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -115.43 144.83 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 39.0 m-85 -144.39 139.11 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.7 tp -103.31 90.04 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.568 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -105.44 135.13 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.36 -178.9 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -86.07 99.14 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 167.24 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.62 157.21 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 98' ' ' GLU . 9.1 p -49.12 -57.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.403 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 2.7 mm-40 -45.64 -57.21 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -47.69 -47.42 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.53 81.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -45.01 -53.56 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.67 -40.32 75.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.34 -27.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.41 140.01 29.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.68 128.11 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.22 123.07 6.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.3 p -83.88 126.44 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.29 115.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m 63.31 126.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -95.64 -57.33 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.45 148.17 22.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.42 172.56 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -95.32 131.22 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.79 135.6 8.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CE1' ' HG2' ' A' ' 94' ' ' LYS . 10.2 p90 -137.74 168.08 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 0.728 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.606 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.21 164.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 33.4 p90 -147.64 140.23 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.1 m -87.43 154.82 20.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.01 111.95 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.92 108.31 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -118.97 177.99 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' ARG . 13.7 tt0 -119.1 116.11 25.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' CZ ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -38.33 101.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.55 -175.33 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -20.08 17.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.58 -11.45 17.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.054 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 51.16 1.01 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 48' ' ' PRO . 0.5 OUTLIER 77.86 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -162.29 59.17 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.09 117.73 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.78 83.33 1.02 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.61 142.53 51.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -124.64 154.28 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 34.7 t0 -76.08 121.12 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.91 14.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.21 -19.03 63.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 35.8 m170 -86.03 -34.69 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.0 p -80.19 152.53 29.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -26.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.587 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 7.0 tp -47.58 -37.01 11.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.61 28.41 45.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.82 152.33 48.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.63 25.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.89 159.96 10.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 mt -99.32 146.04 26.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 16.9 m-85 -141.25 142.97 33.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 mt -55.87 119.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 28.9 tt0 -109.86 -31.12 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.92 167.04 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 21.6 mt -145.37 108.68 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -55.74 158.73 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.0 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.71 62.77 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.467 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -130.23 169.98 12.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.797 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.439 ' CG ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.06 -37.93 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.98 -67.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.54 -40.15 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.13 -54.84 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.9 -50.13 36.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.93 -46.04 2.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.653 ' NE ' ' HZ1' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -50.58 -42.86 56.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 43' ' ' LEU . 37.5 mt -55.95 102.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.4 m -109.37 163.04 13.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.26 133.25 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.7 -21.55 32.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -51.4 163.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 33.6 ttt180 -128.6 135.36 49.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -89.96 129.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.5 mt -107.74 -32.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -147.2 157.7 43.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 69' ' ' LEU . 2.2 t -137.93 110.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 20.53 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.74 38.9 8.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.27 109.8 12.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -47.66 120.79 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 72' ' ' LEU . 7.1 mt -107.3 60.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -104.6 -71.99 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.55 37.96 3.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 69' ' ' LEU . 13.9 mt -107.28 134.22 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -74.06 152.62 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.75 -39.66 38.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 5.2 mt -73.16 -23.6 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' GLY . 4.6 mmt-85 -80.27 -42.93 22.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -66.75 -52.5 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 13.3 p -50.06 -49.13 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.76 40.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -41.46 -51.23 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.409 HD13 ' CG2' ' A' ' 64' ' ' VAL . 1.3 mp -67.25 -44.89 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . 2.7 mtt180 -50.65 -55.38 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' GLY . 32.1 m80 -91.52 35.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -37.19 -91.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 140.94 55.22 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.31 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLY . 5.5 mtpt -94.17 108.11 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -104.43 120.31 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 13.7 ttp180 -112.85 149.61 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 31.0 m-85 -146.68 127.69 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.606 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 11.5 tp -88.38 92.91 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.507 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 17.2 t -91.33 130.53 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.48 130.55 46.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.653 ' HZ1' ' NE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -68.2 96.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 164.53 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.64 172.53 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.42 -46.15 90.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -39.67 -56.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -43.6 -43.66 5.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -66.82 -48.76 67.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -41.91 -53.28 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -54.23 -43.45 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 39' ' ' TYR . 1.7 mm -62.16 -22.95 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -94.3 143.86 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.583 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.4 p -127.61 106.05 8.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -118.35 -96.25 1.77 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.7 m -103.56 -66.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 m -82.04 108.93 15.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.31 114.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.16 -60.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 174.86 45.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.16 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 163.27 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.46 102.95 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -104.64 147.81 27.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 10' ' ' PHE . 18.8 t -93.02 159.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 40.9 p90 -151.5 139.27 19.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.0 m -85.7 157.16 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.92 111.89 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 9.4 mt-10 -99.67 103.45 15.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.85 153.41 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.88 114.47 28.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 2.1 ttt-85 -42.22 103.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 -170.71 29.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -11.09 21.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -6.94 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.14 47.38 5.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER 80.11 -165.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -159.6 66.31 0.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.55 106.32 5.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.66 88.7 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -79.41 143.52 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -134.79 152.31 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.37 121.05 18.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.06 -45.87 5.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 mmt -53.8 -40.8 66.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.98 94.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 p -79.9 154.31 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -42.68 -28.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD1' HG22 ' A' ' 99' ' ' THR . 2.3 tp -39.93 -50.1 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.31 10.77 63.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.56 154.96 37.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.04 39.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.27 164.58 18.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.605 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 10.2 mt -100.79 155.35 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 22.6 m-85 -148.86 151.19 34.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 24.0 mt -66.28 117.66 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.5 tt0 -99.52 -32.72 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.02 167.9 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -144.96 106.48 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 47' ' ' SER . 0.0 OUTLIER -56.93 152.29 28.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 -75.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.17 57.73 0.83 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.3 p -131.46 168.91 15.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.469 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -75.02 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' CB ' ' CD2' ' A' ' 55' ' ' LEU . . . -55.91 -61.09 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -42.15 67.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.0 -48.39 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.13 -53.49 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 103.48 -54.47 0.68 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -38.91 -55.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 0.766 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 HD13 ' CG1' ' A' ' 12' ' ' VAL . 2.5 mp -40.3 119.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -125.17 158.56 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.55 125.17 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.74 -1.06 36.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.56 174.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -140.46 124.11 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.9 mm -84.93 133.52 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.7 mt -111.17 -32.65 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -148.37 147.94 29.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 t -131.12 111.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 64.88 12.13 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 29.93 8.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.45 108.15 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 p -48.91 112.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' CD2' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -92.71 52.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -100.64 132.24 46.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.54 22.98 2.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.19 126.05 33.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.37 139.4 41.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 11.1 t80 -40.48 -40.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -56.49 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.83 -47.41 31.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -60.41 -39.35 87.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 81.6 t -68.18 -46.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 29.3 t0 -62.33 -26.08 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.57 -57.62 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -69.77 -37.0 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 14.3 ttt180 -54.19 -54.11 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CE1' ' HE ' ' A' ' 82' ' ' ARG . 17.5 m170 -91.49 35.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.68 -143.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.12 -179.88 28.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.33 -37.04 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -117.12 111.78 19.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 1.3 mtp -97.91 121.38 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 64.1 mtm180 -108.33 134.64 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 33.4 m-85 -135.27 130.59 35.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.1 88.93 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 21.5 t -89.45 150.69 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.8 152.2 38.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 100.67 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.0 m -82.99 -175.51 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.54 166.0 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 98' ' ' GLU . 11.4 p -61.56 -57.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.423 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 1.0 OUTLIER -40.4 -54.95 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.447 HG22 ' CD1' ' A' ' 33' ' ' LEU . 1.2 m -47.97 -42.99 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -68.87 -46.12 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -43.84 -47.11 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 5.7 mttt -67.7 -36.11 80.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.0 mm -62.53 -33.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -65.81 147.74 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.643 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -20.52 39.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.31 96.88 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t 43.23 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 p -104.75 108.73 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -104.53 -63.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -174.83 97.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.87 155.57 7.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -152.68 170.4 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.85 145.57 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.72 -167.94 11.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 7.7 p90 -138.0 148.76 45.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 t -96.33 162.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 54' ' ' ARG . 42.5 p90 -152.18 137.94 17.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.9 m -82.0 155.81 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.7 OUTLIER -136.61 111.09 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.27 102.74 13.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.5 156.63 18.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ARG . 22.1 tt0 -108.58 109.43 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -38.6 106.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.48 -173.95 27.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.43 15.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -110.37 -23.44 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.52 53.94 0.8 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.7 OUTLIER 76.32 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.73 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 162.9 60.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 101.59 6.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.75 65.8 1.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.98 141.17 49.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tt -135.72 152.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -70.3 124.43 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.61 -40.39 17.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -61.4 -19.3 61.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -35.48 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -82.94 155.39 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.399 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.7 -32.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.98 -33.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.97 20.79 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.17 152.01 42.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.08 30.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.16 14.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 21.2 mt -99.77 153.13 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 32.3 m-85 -148.52 154.07 39.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 59' ' ' ASP . 18.0 mt -73.55 134.55 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.433 ' HG3' ' CG2' ' A' ' 103' ' ' ILE . 3.1 tt0 -117.64 -38.57 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -145.03 171.2 14.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 13.7 mt -144.76 104.2 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.1 mp -49.29 156.11 1.1 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -64.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.45 51.23 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.7 p -127.24 161.35 54.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.45 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -42.31 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.17 -28.97 28.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.17 -40.3 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -45.68 68.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -48.42 -59.86 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.88 -3.8 49.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 7.7 tpp180 -89.85 -61.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 1.2 mp -39.4 108.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -105.88 161.08 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' CD2' HD11 ' A' ' 43' ' ' LEU . 6.3 mt -73.46 131.38 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -23.3 36.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 40' ' ' ILE . 61.2 m-20 -41.12 160.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -126.33 118.59 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.06 148.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' LEU . 54.6 mt -123.99 -43.9 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.63 160.89 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 69' ' ' LEU . 2.1 t -141.29 112.84 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.0 18.87 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.46 31.8 21.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 106.74 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.2 p -42.2 127.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' HG21 ' A' ' 64' ' ' VAL . 7.3 mt -110.12 37.83 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.38 101.32 12.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.4 -38.11 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.02 127.25 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -164.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -89.34 -38.2 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 8.0 mt -73.23 -23.16 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -85.2 -38.4 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.53 -43.52 63.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 8.8 p -59.69 -48.25 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' OD2' ' CE1' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -53.16 -50.15 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -43.64 -60.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.61 -47.6 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -48.9 -54.49 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' CE1' ' OD2' ' A' ' 79' ' ' ASP . 40.3 m80 -91.73 35.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.53 -135.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.25 171.36 37.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -40.28 -38.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -113.67 116.69 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.85 120.27 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 144.86 37.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 45.9 m-85 -145.17 130.81 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.7 tp -97.62 91.66 5.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -104.64 148.34 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.39 142.99 39.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 101.49 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.1 174.91 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -83.7 179.29 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 t -72.16 -41.98 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.31 -55.79 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -43.87 -39.55 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.07 64.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.68 -52.18 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.433 ' CG2' ' HG3' ' A' ' 41' ' ' GLN . 2.9 mm -62.93 -31.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 104' ' ' HIS . 2.4 p80 -149.91 110.98 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.5 m 48.57 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -114.26 151.09 18.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.4 11.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 112.12 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -107.32 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 140.51 46.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 132.26 51.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.87 94.34 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -129.09 98.86 5.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.63 47.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.89 161.68 15.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 3.4 p90 -120.41 157.66 28.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.87 161.08 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' CE2' HG22 ' A' ' 92' ' ' VAL . 48.7 p90 -148.73 136.6 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -81.51 153.03 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.507 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -131.02 110.81 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 21.0 mt-10 -102.34 109.84 21.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -122.15 170.01 10.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 11.4 tt0 -119.55 138.56 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 108.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.51 -171.07 17.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.8 21.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -106.08 -15.67 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.88 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.402 ' HA ' ' CG ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER 81.05 -139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 168.62 73.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.56 123.14 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.67 82.82 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.31 154.93 37.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tt -149.63 149.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.03 123.28 22.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.26 -23.54 1.9 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -31.44 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -34.79 57.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.7 p -81.99 151.97 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -41.89 -29.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.644 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' N ' ' C ' ' A' ' 31' ' ' THR . 1.9 tp -40.88 -43.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.48 60.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.39 154.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.68 22.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.61 155.75 8.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -94.25 142.42 27.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' CE2' ' HB2' ' A' ' 60' ' ' ARG . 63.8 m-85 -141.7 138.65 32.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mt -54.02 135.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -116.78 -39.84 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.37 167.32 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 9.2 mt -144.91 102.71 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -46.34 152.99 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -65.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.28 49.86 4.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.476 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.5 p -123.49 161.2 47.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.402 ' CG ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.01 -37.23 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.56 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.81 -43.0 14.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.64 -37.68 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 4.6 t70 -55.15 -60.47 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.64 -53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.32 -62.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 2.4 mp -40.66 112.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.9 m -118.1 167.42 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 mt -76.71 125.8 29.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.69 -12.83 46.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.81 137.66 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 13.2 ttt180 -99.83 137.01 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.0 mm -91.67 154.45 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 61.5 mt -124.77 -44.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -136.89 152.03 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.23 105.86 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' CE ' ' A' ' 88' ' ' MET . 8.7 m-20 63.5 19.28 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.08 43.75 4.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 112.67 11.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 0.77 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -56.58 112.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' ' HB1' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -92.45 54.47 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.2 mt -97.02 119.72 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.13 26.35 6.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.74 129.98 34.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -56.42 142.1 40.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -50.12 -28.25 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 16.5 mt -79.16 -31.15 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 73' ' ' GLY . 2.5 mmt-85 -72.99 -43.43 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -69.94 -54.04 15.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 6.4 p -53.36 -39.93 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 5.9 t70 -61.12 -39.31 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.52 -56.49 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.07 -22.14 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 7.4 ttt180 -77.21 -52.29 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -90.32 35.79 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.31 -141.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.56 -166.87 18.5 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -51.13 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -116.52 165.46 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -138.81 121.53 16.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 4.3 mtm180 -107.45 138.43 43.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 42.6 m-85 -136.87 140.47 42.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.4 tp -107.78 90.61 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.03 154.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.96 175.47 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -83.19 100.21 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.24 177.3 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -121.09 179.93 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.4 t -72.06 -54.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -44.05 -49.55 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -48.2 -51.32 25.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -62.8 -45.62 91.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -44.98 -36.72 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.1 -38.53 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.1 mm -64.32 -30.55 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -69.01 141.41 54.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t 69.2 152.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.19 89.53 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.13 34.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.39 97.31 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 129.83 43.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -89.71 -57.56 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -171.34 -57.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.27 -172.14 45.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.45 -48.1 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -62.4 163.25 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.72 129.22 1.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.7 p90 -119.79 145.68 46.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 10' ' ' PHE . 38.8 t -101.4 161.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 92' ' ' VAL . 43.1 p90 -144.79 137.51 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 m -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -133.23 111.56 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -104.74 111.44 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -123.42 171.57 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 15.7 tt0 -120.21 150.19 41.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.99 126.89 31.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.35 -175.45 32.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -111.14 -22.78 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.8 55.13 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 88' ' ' MET . 0.6 OUTLIER 72.88 -141.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 176.56 60.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.4 122.13 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.15 0.73 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.55 143.78 38.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 tt -135.99 148.98 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' HIS . 35.9 t0 -65.74 117.85 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.98 -26.67 0.88 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -40.4 60.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.7 m170 -55.0 -38.4 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 156.21 26.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.73 -25.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 35' ' ' ALA . 1.7 tp -46.82 -35.48 6.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 20.12 7.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.127 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' CB ' HD22 ' A' ' 33' ' ' LEU . . . -106.85 152.48 40.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.01 40.67 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 163.27 22.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 7.1 m-85 -129.4 158.3 39.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.468 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 26.5 mt -71.66 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.84 -39.19 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.93 171.12 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 49' ' ' ALA . 8.4 mt -144.46 98.91 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 1.1 tt -43.2 140.45 2.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 146.75 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.86 10.3 38.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.458 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -84.93 170.58 13.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -34.95 3.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 43' ' ' LEU . . . -64.47 -28.42 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -40.95 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.8 -60.26 3.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.07 -60.51 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -41.44 -62.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.9 mp -40.99 114.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -125.24 164.04 21.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 mt -72.81 129.51 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.3 -18.9 35.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -50.5 156.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 6.7 ttt85 -123.49 118.85 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 mm -75.0 150.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' LEU . 64.4 mt -123.19 -44.18 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -134.97 161.58 34.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.04 106.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 62.66 26.35 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.04 41.6 8.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.79 114.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.81 116.56 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 tp -105.36 60.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.01 -77.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.98 41.96 3.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.1 mt -115.13 131.53 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.42 -163.03 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -90.99 -25.72 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -82.25 -27.66 32.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -80.81 -39.29 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.03 52.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 79' ' ' ASP . 9.9 p -54.08 -50.91 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.436 ' OD2' ' ND1' ' A' ' 83' ' ' HIS . 1.9 t70 -50.93 -47.39 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.53 -50.41 65.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 mp -67.22 -27.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -53.56 10.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OD2' ' A' ' 79' ' ' ASP . 40.8 m80 -92.54 36.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -50.54 -103.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 163.02 76.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 66.39 -73.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' GLY . 0.1 OUTLIER -93.16 152.59 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 41.3 mmm -120.87 119.98 34.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 131.96 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 36.2 m-85 -131.68 141.22 49.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.5 tp -105.02 88.66 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.56 147.12 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.61 -179.94 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 98.22 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -171.65 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.4 175.52 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.53 -44.41 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -48.18 -56.7 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -45.96 -46.32 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -57.32 -49.71 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -41.63 -55.0 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -59.22 -38.62 80.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.4 mm -66.06 -22.84 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.57 163.78 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -118.38 128.52 54.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.96 152.71 22.83 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 101.09 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.4 p -50.14 -58.56 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.2 134.32 51.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.39 132.58 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -149.6 116.09 5.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.89 -167.92 24.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -139.96 -55.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 110.058 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 39.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.33 -164.9 12.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -107.74 163.77 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.23 165.01 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 38.8 p90 -148.09 138.19 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.5 m -84.21 156.03 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -137.64 112.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -106.96 107.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -120.11 172.55 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 17' ' ' GLY . 15.0 tt0 -119.59 122.24 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -38.8 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . . . -71.19 -175.45 21.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.42 17.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -105.66 -15.03 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 96.23 34.13 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 88.65 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.85 56.77 10.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.43 101.98 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.29 75.32 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.86 132.12 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 tt -132.41 160.92 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.6 OUTLIER -74.05 117.2 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -40.5 -28.15 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.1 mmt -72.27 -50.16 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -52.28 -42.55 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.549 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -79.71 156.62 27.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.2 m170 -51.33 -20.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD13 ' CB ' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -37.69 -60.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.08 88.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' HD13 ' A' ' 33' ' ' LEU . . . -98.9 147.13 32.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.39 31.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.92 -176.69 20.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 5.0 mt -105.99 152.56 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -144.32 155.79 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 18.4 mt -70.46 112.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.8 tt0 -90.06 -37.79 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.98 170.72 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 31.3 mt -143.61 102.32 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 150.09 13.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.46 41.33 3.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 6.3 p -127.68 164.46 36.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.6 Cg_endo -74.94 -44.97 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . . . -39.77 -52.8 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.83 -54.49 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.49 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 20.2 t70 -46.65 -60.4 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.74 -64.12 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.35 -60.35 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 40' ' ' ILE . 2.3 mp -40.53 114.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.9 m -124.23 164.73 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.59 140.17 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.76 -23.93 28.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -40.7 154.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 32.9 ttt180 -122.48 120.25 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.1 mm -78.7 150.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' LEU . 70.2 mt -123.66 -44.1 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -132.38 161.13 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.52 105.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.74 24.33 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.71 24.51 58.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 118.97 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -55.18 117.87 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -107.23 59.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -103.16 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.37 35.92 4.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 13.1 mt -104.35 133.91 48.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.94 157.91 53.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -58.03 -30.85 66.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 15.1 mt -78.54 -25.0 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -41.19 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -67.15 -50.59 60.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 79' ' ' ASP . 14.6 p -52.33 -54.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -52.27 -53.54 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.466 ' HA ' ' CE ' ' A' ' 88' ' ' MET . 1.3 mp -65.31 -41.77 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -55.81 -54.99 37.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' GLY . 35.0 m80 -92.68 35.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -38.63 -92.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.72 55.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 15.7 mmtt 68.58 -63.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' GLY . 12.8 mtmt -94.65 110.23 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -104.25 120.63 41.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -113.04 135.5 53.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 35.5 m-85 -133.19 135.36 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 27.2 tp -102.18 89.37 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.562 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.46 146.63 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.05 176.83 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 108.53 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.56 -178.05 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.21 178.28 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.53 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.74 -46.91 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -47.58 -45.28 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 101' ' ' LYS . . . -60.87 -56.27 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -39.4 -64.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -42.31 -48.75 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.0 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' LYS . 23.7 m170 -59.38 168.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -91.95 109.21 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -85.94 166.96 39.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.47 27.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -114.38 123.69 50.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.8 m -60.69 97.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 54.35 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 109.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.6 149.12 35.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.39 -169.38 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -106.91 -59.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.57 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.49 85.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 46.6 p90 -116.23 171.56 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.56 164.63 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 47.3 p90 -146.25 142.53 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.4 m -89.07 153.93 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.41 112.26 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 119.82 37.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -134.48 166.62 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -117.46 113.51 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 106.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.7 -175.33 23.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.62 18.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -90.01 -21.98 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.28 49.81 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 74.79 -140.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 171.26 65.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.61 127.32 23.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.89 87.45 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.66 134.73 36.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.2 tt -121.08 154.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 37.1 t0 -70.75 117.38 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.19 -31.47 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -35.94 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.0 m170 -62.98 -37.48 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -80.16 155.15 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -26.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 5.9 tp -47.75 -38.53 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.0 30.11 45.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.79 153.49 54.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 167.55 13.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.59 130.12 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 12.3 m-85 -126.64 149.49 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mt -68.13 122.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 4.4 tp-100 -107.13 -29.29 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.61 169.82 21.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 4.7 mt -143.89 123.99 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.81 159.67 77.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -83.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.17 58.67 0.58 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.465 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 5.2 p -129.54 165.32 33.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.95 -36.12 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 43' ' ' LEU . . . -55.25 -63.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.15 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.36 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.12 -55.82 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.86 -61.68 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.93 -56.3 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ARG . 20.1 mt -39.94 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -114.88 159.15 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.6 131.46 45.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.76 -20.78 33.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 47.8 m-20 -45.77 163.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 21.6 ttt180 -133.44 126.28 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -81.87 137.1 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt -112.85 -32.63 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -150.37 150.11 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.8 t -129.35 107.33 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 61.86 14.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 41.45 3.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.74 101.75 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -42.64 116.41 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -111.38 61.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -90.8 -82.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.26 35.67 4.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.0 mt -99.92 119.99 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.8 -176.99 5.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.37 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 6.1 mp -46.51 -29.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -49.94 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -69.37 -56.36 7.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 4.3 p -40.07 -41.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.77 -51.72 67.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ALA . 96.7 mt -41.71 -57.65 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.92 -50.38 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -43.74 -56.06 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -92.24 35.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.71 -146.53 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.46 166.66 26.06 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.4 -36.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -108.71 109.03 20.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 77.9 mmm -90.5 119.39 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -114.85 128.93 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 28.0 m-85 -129.69 133.63 47.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 10.1 tp -94.2 89.28 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 59' ' ' ASP . 20.6 t -89.57 132.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.66 134.12 42.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -65.3 96.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -94.34 159.68 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.53 167.19 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.1 t -58.16 -39.44 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -49.1 -51.25 32.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -49.94 -33.03 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.93 -41.39 29.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -46.71 -50.05 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 6.0 mttt -64.72 -33.57 76.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.84 -33.68 65.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -71.94 135.18 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -116.28 129.05 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.25 146.08 18.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -129.28 -64.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 t -55.35 141.22 36.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.108 . . . . 0.0 110.989 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.06 110.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -115.96 153.22 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.61 -81.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.76 126.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.93 157.03 43.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.88 178.17 31.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -126.61 169.39 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.601 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.67 163.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 51.8 p90 -147.12 151.23 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 m -90.53 156.68 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -140.8 115.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.33 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -107.36 157.89 17.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -110.43 108.36 18.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -39.6 112.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.75 -168.84 45.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.24 21.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -115.68 -13.24 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 125.7 -118.11 3.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -138.87 13.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 36.98 64.95 0.61 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.36 101.13 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 0.721 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -78.45 73.84 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.41 130.68 36.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tt -126.72 153.16 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' MET . 57.4 t0 -74.14 124.41 26.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.83 -27.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -66.77 -48.07 70.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.9 m-70 -51.9 -40.4 60.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.473 ' CG2' HD11 ' A' ' 103' ' ' ILE . 14.6 p -79.88 -179.09 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.7 -18.27 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD12 ' CD ' ' A' ' 102' ' ' LYS . 8.0 tp -49.13 -24.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.73 31.29 1.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.56 152.19 78.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.16 43.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.7 162.38 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.4 mm? -97.51 142.04 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.5 m-85 -144.57 138.68 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 8.0 mt -58.66 133.61 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' GLY . 2.8 tt0 -116.48 -38.3 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.65 167.23 23.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -144.59 125.98 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -75.07 156.12 86.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.99 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.43 43.88 3.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.502 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 51.5 p -118.89 161.86 34.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.2 Cg_endo -74.99 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -51.32 -31.93 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -48.72 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.17 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.85 -49.74 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.67 -54.35 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.32 -56.74 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.518 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.6 mp -42.53 111.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -115.68 164.82 13.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.36 130.42 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.62 -22.83 31.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -45.63 159.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.1 ttt180 -124.96 123.09 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -75.1 153.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' LEU . 44.1 mt -128.38 -44.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -131.87 161.68 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.17 103.56 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.15 12.37 7.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' HA2' ' NH1' ' A' ' 89' ' ' ARG . . . 99.37 23.32 11.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.803 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -59.42 118.92 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -106.78 60.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.1 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.03 23.82 18.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.41 126.77 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.04 156.31 41.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -54.1 -45.61 71.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 4.7 mt -65.3 -26.68 68.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 -78.33 -45.13 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -66.95 -47.76 70.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -59.66 -44.64 93.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' CG ' ' CE1' ' A' ' 83' ' ' HIS . 3.6 t0 -56.47 -48.18 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.14 -54.4 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.14 -42.05 94.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -54.89 -57.95 9.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 79' ' ' ASP . 4.9 m80 -91.52 35.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.39 -140.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.9 173.37 32.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -44.37 -37.39 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 114.97 28.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -115.47 120.05 38.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.7 ttm180 -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 36.0 m-85 -138.73 137.93 37.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.601 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 9.1 tp -103.4 91.45 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -100.56 135.59 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.93 145.73 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 95.94 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.05 -176.92 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -100.86 169.99 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ALA . 27.5 m -56.18 -48.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -40.56 -55.84 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.46 -38.67 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -76.4 -37.71 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -48.33 -43.46 33.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' CD ' HD12 ' A' ' 33' ' ' LEU . 3.8 mttt -63.12 -34.5 77.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.473 HD11 ' CG2' ' A' ' 31' ' ' THR . 1.3 mm -75.4 -21.7 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.51 160.78 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.6 p -113.56 98.08 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.91 91.38 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 137.76 22.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.6 t -61.96 110.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -78.38 105.98 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.87 133.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -162.94 121.78 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.94 -126.84 1.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.46 -62.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.31 97.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.5 -165.38 32.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 6.1 p90 -130.66 151.47 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.3 t -100.12 160.18 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 92' ' ' VAL . 29.6 p90 -146.82 139.0 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 161.31 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' ' OD2' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -143.35 112.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -104.79 102.8 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.25 165.95 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' ARG . 17.5 tt0 -116.43 106.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.48 107.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.92 -168.89 43.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -7.92 19.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -107.25 -11.2 15.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 48.54 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER 80.14 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 163.47 86.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.461 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -148.78 101.4 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.88 64.13 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 9.0 mt -73.0 131.6 42.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 31' ' ' THR . 4.9 tt -132.5 163.63 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.5 t70 -78.77 118.03 20.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -40.58 -27.82 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -70.49 -44.3 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.938 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.6 m170 -61.39 -40.09 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.594 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.476 HG22 ' CG2' ' A' ' 26' ' ' ILE . 1.7 p -78.94 152.77 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -39.69 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CA ' ' HB3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -41.52 -62.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 83.33 -10.32 59.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' CB ' HD11 ' A' ' 33' ' ' LEU . . . -82.62 149.62 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 122.62 158.58 10.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.02 137.8 31.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 37' ' ' GLY . 74.5 m-85 -138.93 152.0 47.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.465 HG23 ' CD2' ' A' ' 43' ' ' LEU . 5.0 mt -72.68 131.72 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -111.41 -38.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.65 150.74 33.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -116.57 102.14 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -43.38 155.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -78.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 56.74 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.492 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 4.0 p -129.8 160.21 66.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.03 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -54.53 -54.36 42.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -56.72 -60.21 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.77 -36.53 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' CG1' ' A' ' 12' ' ' VAL . 1.8 t70 -46.42 -33.31 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.42 -53.96 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -47.93 63.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 HD13 ' CB ' ' A' ' 49' ' ' ALA . 35.2 mt -55.45 104.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -104.51 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.09 127.96 33.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.8 -18.41 40.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.33 158.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.0 ttt180 -123.1 128.59 50.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.0 mm -80.79 154.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.7 mt -127.92 -46.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -132.51 160.8 35.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.27 104.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 62.07 29.14 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 42.31 9.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.17 104.21 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -49.16 115.87 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -94.09 39.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -100.62 102.19 13.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.88 -17.46 54.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 80' ' ' LEU . 11.3 mt -66.6 117.46 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' TYR . . . -59.43 145.93 44.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' GLY . 14.3 t80 -37.63 -48.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.48 -57.25 13.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -52.64 -41.11 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -64.19 -42.84 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 64.2 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 45.5 t0 -58.03 -35.83 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -62.44 -56.17 20.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 mp -69.66 -7.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 32.0 ttt180 -88.38 -50.69 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -93.15 28.57 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.56 -140.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.08 -162.34 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -71.35 -28.39 64.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.08 108.39 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 64.7 mmm -94.56 118.78 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -110.29 130.32 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 41.3 m-85 -129.28 131.83 47.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.5 tp -101.34 89.75 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.81 157.08 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.37 145.18 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 95.68 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.5 p -79.08 173.89 12.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.56 172.49 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.9 m -62.83 -49.38 83.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.81 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -65.78 -51.36 59.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 104' ' ' HIS . 56.6 mttt -44.42 -47.99 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.86 -38.75 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -72.27 -33.49 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' LYS . 9.7 m170 -76.47 -70.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -171.58 93.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -39.76 126.09 2.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.56 42.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 t -90.73 86.07 6.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.76 144.9 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -136.54 132.01 34.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -56.12 165.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.75 173.6 33.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.32 134.5 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.08 134.78 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.16 177.99 28.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 32.6 p90 -134.59 167.26 21.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.582 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.51 164.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 92' ' ' VAL . 32.5 p90 -147.81 147.3 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.401 ' C ' HG23 ' A' ' 12' ' ' VAL . 72.4 m -87.76 154.98 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.537 ' CG2' ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -133.98 114.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.34 104.75 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -115.8 170.72 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' ARG . 15.1 tt0 -119.28 115.97 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -37.67 123.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.96 -174.93 27.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.18 9.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -108.36 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.6 47.34 4.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mt 80.76 -52.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.7 52.6 9.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -115.62 101.96 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.02 68.89 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' MET . 20.8 mt -76.44 132.97 39.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 tt -128.34 159.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.31 131.7 40.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -59.36 -15.74 32.5 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.91 -41.32 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -67.08 -34.68 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -80.01 154.08 28.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -40.71 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 2.2 tp -40.44 -48.39 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 65.08 9.78 43.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.42 154.24 40.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.17 29.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 171.92 15.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.3 mm? -103.04 149.45 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CE2' ' CD2' ' A' ' 33' ' ' LEU . 6.9 m-85 -141.86 145.45 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 29.3 mt -66.3 122.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.5 tt0 -101.96 -37.15 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -147.9 178.07 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.4 mt -144.49 101.74 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -45.38 142.22 3.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.05 152.99 41.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.01 19.4 7.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.17 171.24 6.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.043 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -75.0 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -16.0 59.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.42 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 7.9 t70 -52.29 -59.5 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.58 -60.7 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.583 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.22 -60.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 12' ' ' VAL . 1.5 mp -40.13 110.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.57 157.86 21.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.58 131.32 45.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.2 -24.87 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 92' ' ' VAL . 83.0 m-20 -42.02 150.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 19.0 ttt180 -120.48 118.83 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.3 mm -74.92 147.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -122.46 -42.68 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -132.53 156.37 46.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 81' ' ' ILE . 2.1 t -139.99 111.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.36 18.99 9.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.94 44.83 4.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.96 121.68 9.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -105.01 60.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' LEU . 94.7 mt -98.42 133.68 42.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.0 29.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.7 mt -91.45 120.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.88 -176.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 78' ' ' VAL . 46.5 t80 -68.33 -66.17 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mp -45.51 -44.32 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -53.85 -48.68 69.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.443 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -70.34 -34.34 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 74' ' ' TYR . 61.4 t -67.08 -40.34 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.36 -29.05 70.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.86 -56.62 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 64' ' ' VAL . 3.2 mp -71.56 -13.4 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -71.5 -47.15 57.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -91.52 33.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . -126.68 104.31 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.73 164.48 21.11 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.33 -77.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 119.88 40.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -126.42 119.96 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -105.28 144.03 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 46.9 m-85 -142.51 135.6 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.582 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 9.3 tp -106.16 93.4 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.592 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.92 129.39 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.61 148.28 27.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -79.18 100.31 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.81 167.83 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -85.76 179.64 7.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.05 -40.24 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -45.37 -42.96 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -58.13 -44.51 87.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.01 86.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -47.92 -46.24 31.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -66.55 -32.74 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.72 -33.98 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.67 170.64 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -152.54 94.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.59 121.71 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.99 11.96 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.9 m -98.75 157.23 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.09 125.7 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.24 149.9 14.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -150.77 152.91 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.39 143.05 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -145.54 90.34 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.99 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -144.63 165.32 28.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 130.5 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 10.5 p90 -139.22 143.95 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 10' ' ' PHE . 25.9 t -99.38 164.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 92' ' ' VAL . 35.1 p90 -149.3 141.97 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 m -90.83 153.18 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.96 118.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -109.14 103.27 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' HG13 ' A' ' 12' ' ' VAL . 3.2 mm? -105.92 159.85 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -113.08 112.13 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -38.81 114.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.65 -165.67 41.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.45 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -113.18 -20.2 11.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.463 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 136.07 -107.57 0.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.7 OUTLIER -141.2 14.78 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 38.27 55.53 1.98 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.93 119.7 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.44 85.04 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -85.88 120.66 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 30' ' ' HIS . 4.5 tt -124.59 160.02 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.8 157.78 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -84.1 23.83 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.35 -52.12 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -72.56 -31.91 65.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.595 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 30' ' ' HIS . 7.8 p -79.53 148.69 31.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -40.77 -29.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 3.7 tp -38.63 -34.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.35 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -127.38 152.05 75.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.85 18.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 140.64 155.51 6.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.0 mp -93.8 155.31 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 61.1 m-85 -159.28 147.79 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 25' ' ' LEU . 15.3 mt -64.42 116.9 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -101.74 -35.39 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.27 159.91 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 23' ' ' MET . 7.4 mt -145.65 116.84 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.503 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -65.25 151.63 93.52 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.01 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.22 52.03 4.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.515 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -129.99 171.29 9.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.988 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 55' ' ' LEU . . . -44.73 -55.28 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.19 80.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.98 -32.49 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -45.54 76.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -48.82 3.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.57 -55.67 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 6.7 mt -48.77 115.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 m -121.89 160.16 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.67 125.08 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.9 -6.53 31.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 21.1 m-20 -62.84 167.71 4.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.2 ttt180 -131.37 123.95 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -81.21 146.92 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 91' ' ' LEU . 35.0 mt -120.69 -44.22 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -133.5 161.8 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 81' ' ' ILE . 2.3 t -142.37 110.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.37 14.31 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.88 36.72 6.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.96 113.68 17.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 p -45.25 118.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 38' ' ' LEU . 1.2 tp -113.24 61.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.81 -84.08 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.6 41.58 3.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.9 130.27 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -65.38 150.34 51.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -52.58 -20.72 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.22 -24.97 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -84.55 -39.29 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -71.04 -44.16 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.06 -47.9 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.83 -45.21 78.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.0 mt -49.63 -60.28 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 64' ' ' VAL . 2.4 mp -64.1 -48.98 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -48.78 -54.91 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -90.97 35.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.98 -142.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.43 178.87 33.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -38.06 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.7 113.68 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -112.55 120.41 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.05 147.46 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 39.6 m-85 -144.06 127.99 17.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 23.6 tp -98.23 88.73 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -102.75 156.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.45 156.88 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 96.7 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.33 169.43 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -179.96 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -74.34 -46.57 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.09 -47.96 11.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -51.98 -53.55 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -53.37 -53.84 45.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -40.13 -55.81 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 8.0 mttt -54.13 -42.93 70.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.6 mm -64.92 -40.12 87.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.58 138.29 55.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -68.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.16 85.77 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.43 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 -57.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.6 m -75.53 146.0 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.85 -57.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.6 139.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.39 166.67 24.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -173.61 154.63 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.2 131.02 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.67 153.77 20.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.8 t -92.82 155.75 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 37.6 p90 -149.77 137.82 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 89' ' ' ARG . 72.9 m -85.7 155.64 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.81 112.39 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -102.91 117.17 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.97 177.58 7.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -115.24 111.46 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -38.71 114.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.01 -171.95 25.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.55 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -121.48 28.23 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 72.91 42.94 43.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.2 OUTLIER 82.01 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' LEU . . . 130.02 67.06 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -135.96 130.57 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -97.69 84.62 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -83.75 137.88 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.614 ' CD1' ' NE2' ' A' ' 30' ' ' HIS . 1.4 tt -143.71 147.55 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.57 156.99 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -81.53 40.86 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mmt -103.85 -51.34 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.614 ' NE2' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -79.53 -28.05 41.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.605 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.536 ' CG2' ' CD2' ' A' ' 30' ' ' HIS . 16.5 p -79.14 156.34 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -49.42 -22.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.651 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.613 ' CD2' ' CZ ' ' A' ' 39' ' ' TYR . 7.4 tp -38.28 -55.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.77 23.69 76.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -138.08 143.37 39.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.35 22.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.34 -157.32 28.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 2.6 mm? -132.51 143.59 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.613 ' CZ ' ' CD2' ' A' ' 33' ' ' LEU . 6.6 m-85 -160.66 145.89 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 16.3 mt -68.24 135.55 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 28.4 tt0 -109.6 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.62 152.23 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -121.19 91.68 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -40.09 149.88 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.49 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.39 52.22 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.5 p -129.52 158.24 73.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.408 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.89 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -60.95 -49.38 77.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.34 -38.26 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.58 -51.67 20.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.97 -44.12 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -62.27 -43.96 97.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.774 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 92' ' ' VAL . 33.9 mt -56.1 103.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -101.79 165.41 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mt -79.4 125.21 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ASP . . . 107.07 -12.95 40.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 58' ' ' GLY . 6.7 m-20 -46.52 172.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -133.38 117.18 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.02 136.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 93' ' ' ALA . 53.5 mt -112.74 -34.91 5.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 91' ' ' LEU . 14.3 mt-10 -145.23 160.47 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 80' ' ' LEU . 2.4 t -142.43 108.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER 75.66 -56.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.77 39.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 2.7 t -133.46 110.99 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -56.5 121.24 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -98.37 47.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 mt -100.87 71.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.66 -17.97 10.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -55.47 118.16 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -49.2 137.75 18.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 78' ' ' VAL . 13.9 t80 -37.9 -51.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.75 -49.47 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -53.95 -51.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -58.75 -49.22 78.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 74' ' ' TYR . 58.5 t -47.27 -41.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' LEU . 16.7 t70 -57.91 -55.9 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 0.8 OUTLIER -38.96 -65.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.55 -53.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -44.32 -56.0 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.6 m170 -95.17 36.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -59.68 -144.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.68 34.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -41.5 -37.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -109.31 109.39 20.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -100.99 119.52 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 11' ' ' THR . 31.5 ttm180 -112.72 141.47 46.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 46.5 m-85 -140.25 134.12 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 63' ' ' GLU . 33.1 tp -96.93 90.99 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 t -88.83 150.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -118.98 143.18 47.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 95.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -86.75 169.47 12.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -87.21 173.79 9.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.421 HG11 ' CD ' ' A' ' 101' ' ' LYS . 69.9 t -67.86 -49.53 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.04 -55.54 3.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -38.32 -58.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -54.91 -53.54 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' CD ' HG11 ' A' ' 97' ' ' VAL . 17.3 mtpt -44.85 -47.08 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 17.7 mttt -59.26 -37.67 78.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.9 mm -70.1 -30.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 18.9 m170 -61.25 152.82 27.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.0 m -101.44 92.81 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.6 157.42 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.15 37.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.1 p -152.25 168.9 23.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.8 m -101.24 87.77 3.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.981 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.1 145.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m 63.17 129.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 108.92 0.35 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.19 167.85 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -166.71 170.05 12.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.87 -145.96 20.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 16.3 p90 -124.73 142.3 51.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 10' ' ' PHE . 49.4 t -93.86 154.62 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 33.2 p90 -142.84 138.1 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 m -84.55 162.5 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.487 ' CG1' ' CD1' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -142.54 111.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.93 116.98 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 1.1 mt -128.88 170.69 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.41 124.56 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.01 107.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.6 -176.76 16.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -102.73 -18.54 15.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.07 46.04 2.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.07 -156.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.97 55.18 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.91 101.33 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.12 69.71 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 12.4 mt -74.92 154.98 37.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 tt -149.87 154.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' MET . 33.6 t0 -73.97 120.4 19.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.8 -29.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.6 mmm -63.74 -49.35 73.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.5 m170 -56.27 -33.09 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -86.03 171.66 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.378 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -16.41 62.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 2.3 tp -50.22 -29.38 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.08 25.59 1.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -127.78 145.96 56.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 134.86 18.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.62 27.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.38 140.33 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -150.89 169.62 21.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 25' ' ' LEU . 53.0 mt -93.22 130.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 3.3 tt0 -108.29 -37.67 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -148.02 175.5 10.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.6 mt -140.75 98.03 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -44.34 141.96 2.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.99 148.53 35.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.56 12.73 34.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 p -93.06 170.33 8.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.06 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.35 53.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.45 -43.58 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.2 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 12.4 t70 -60.4 -57.37 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.24 -59.4 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.86 -56.22 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 1.9 mp -40.34 114.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -117.55 179.81 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.23 130.53 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.83 -18.08 44.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -44.27 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -134.65 119.99 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.5 mm -76.83 129.37 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.14 -36.99 6.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -136.03 161.32 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 t -144.87 113.74 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 56.78 33.04 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 26.72 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -119.73 104.53 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.027 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' SER . 43.2 m -38.4 118.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.513 ' CD2' ' CB ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -94.23 44.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.4 mt -102.64 115.76 31.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 105.06 -56.94 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -39.02 114.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.07 -142.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.579 1.174 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 64.8 t80 -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' C ' HG11 ' A' ' 78' ' ' VAL . 6.7 mt -89.04 -37.09 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -58.05 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -53.22 -49.92 65.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 5.4 p -60.82 -42.63 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.79 -39.5 77.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -57.32 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 64' ' ' VAL . 2.2 mp -64.8 -36.3 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HG2' ' CD2' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -63.68 -51.23 65.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 59.1 m170 -90.89 35.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.66 -144.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.94 62.05 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 -78.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -67.09 107.53 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 71.0 mmm -114.38 120.22 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -117.33 143.47 45.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 15.7 m-85 -142.38 138.84 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.85 90.02 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 t -87.7 150.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.61 144.86 47.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.7 96.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.34 173.75 8.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.9 166.28 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.6 -50.76 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' LYS . 43.7 mm-40 -40.94 -58.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -40.91 -44.15 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -73.67 -39.92 64.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' GLU . 39.6 mttt -48.04 -38.33 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 13.6 mttt -74.03 -33.26 63.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.7 mm -73.96 -31.34 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 9.9 p80 -144.04 104.58 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' GLY . 70.4 p -123.45 170.64 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 105' ' ' SER . . . 37.9 82.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.22 166.92 10.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.9 p -108.56 108.08 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -73.39 -58.41 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -162.46 170.52 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.99 163.96 31.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.99 152.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.26 148.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.51 158.84 20.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 27.3 p90 -101.14 138.46 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 10' ' ' PHE . 25.1 t -92.35 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 92' ' ' VAL . 37.1 p90 -142.8 138.88 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -83.89 162.3 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -142.13 112.72 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.36 103.12 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -109.22 158.49 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -112.13 110.44 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -38.85 106.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.95 -171.65 31.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.32 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -114.27 -6.01 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 86.49 48.32 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER 83.32 -137.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 169.68 75.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -144.31 122.81 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.71 78.37 0.91 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.55 149.15 47.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 4.4 tt -143.37 153.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.61 123.86 26.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.18 -22.9 2.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -27.89 62.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -78.46 -38.13 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 p -79.85 151.04 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLY . 4.3 m80 -39.61 -35.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.401 ' N ' ' HB3' ' A' ' 102' ' ' LYS . 1.0 OUTLIER -39.77 -32.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 46.03 24.78 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.53 155.31 43.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.35 30.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.6 172.8 13.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 27.2 mt -113.33 145.96 40.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 9.9 m-85 -143.83 161.84 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mt -75.55 123.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 3.8 tt0 -104.32 -31.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.2 166.14 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 57' ' ' LEU . 4.2 mt -143.0 123.86 14.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -64.63 159.14 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -70.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.3 4.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 3.8 p -128.98 162.7 50.39 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.809 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.46 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -74.96 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.17 -24.11 64.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -94.4 -32.6 13.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.32 71.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -59.47 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 108.11 -53.15 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -38.42 -49.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD12 ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -58.68 112.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 135.64 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 HD11 ' N ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -40.42 133.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.46 34.79 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -74.62 157.61 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 16.5 ttt180 -126.35 119.9 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 mm -77.94 146.9 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.8 mt -118.27 -48.18 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -128.92 163.68 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 t -144.72 106.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.408 ' ND2' ' HA2' ' A' ' 84' ' ' GLY . 15.5 m-20 62.75 25.26 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.79 30.38 35.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.8 103.57 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -46.86 120.68 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -105.23 44.47 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.53 83.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.88 -16.31 10.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 80' ' ' LEU . 6.9 mt -67.83 124.15 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.51 160.87 3.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.473 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 16.0 t80 -55.39 -47.74 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.37 -52.54 63.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -50.26 -37.68 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -72.78 -49.32 31.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 74' ' ' TYR . 44.5 t -51.29 -47.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.24 -50.0 75.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 72' ' ' LEU . 22.2 mt -46.18 -50.82 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.0 -42.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -52.06 -55.2 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -92.61 35.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.63 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' ND2' ' A' ' 65' ' ' ASN . . . -37.55 -91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.03 54.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 71.46 -63.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -97.79 111.84 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.25 133.9 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 38.5 m-85 -131.69 133.99 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 tp -104.26 89.52 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.45 156.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.26 157.58 18.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 96.06 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.11 178.89 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.1 160.69 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.402 ' CG1' ' H ' ' A' ' 98' ' ' GLU . 7.5 p -52.06 -57.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 101' ' ' LYS . 11.5 mt-10 -42.76 -57.66 2.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -45.03 -35.06 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.41 -42.03 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 98' ' ' GLU . 20.9 mttt -45.65 -51.75 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 4.3 mttt -56.1 -40.61 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 mm -63.9 -17.53 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -106.36 107.07 17.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -40.0 -43.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.85 100.78 2.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 m 61.82 118.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -112.64 145.22 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -159.11 170.43 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 170.59 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.66 179.57 16.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -164.92 144.36 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.937 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.01 163.98 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.13 159.43 8.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 5.1 p90 -130.67 155.72 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 10' ' ' PHE . 38.1 t -103.37 163.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 92' ' ' VAL . 37.2 p90 -147.4 137.92 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -83.88 159.9 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -138.51 111.79 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -104.22 108.51 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 1.3 mt -122.18 174.06 7.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ARG . 10.6 tt0 -126.23 112.82 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -37.96 108.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 -173.06 48.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.87 8.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -110.3 -22.38 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 46.15 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 0.7 OUTLIER 77.73 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 44' ' ' LEU . . . 74.53 63.6 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.75 104.7 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.781 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.33 73.03 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 40' ' ' ILE . 12.3 mt -83.32 129.44 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tt -125.93 158.21 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -73.53 120.57 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.54 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -41.96 -29.69 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.95 -42.83 80.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.1 m-70 -61.05 -38.64 86.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 p -81.26 155.77 25.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -44.27 -30.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.565 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 1.3 tp -40.02 -41.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 14.22 31.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.03 38.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.43 40.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.09 170.82 25.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.2 mm? -100.57 148.55 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 19.9 m-85 -143.24 148.51 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 HG12 ' CD2' ' A' ' 25' ' ' LEU . 7.3 mt -70.96 128.99 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' GLY . 0.7 OUTLIER -113.21 -29.46 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -114.41 136.12 53.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.14 137.73 37.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.46 39.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 15.88 23.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -97.33 166.61 13.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -36.01 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.63 -62.56 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 43' ' ' LEU . . . -58.44 -47.49 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.32 -46.42 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 24.6 t70 -46.85 -40.2 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . 87.53 -55.51 4.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.09 -41.21 16.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD12 ' CG1' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -66.51 105.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -126.42 143.41 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -44.49 137.25 3.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.28 -24.57 28.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.38 153.74 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 24.9 ttt180 -124.58 122.8 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.35 151.5 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 56.8 mt -123.46 -46.9 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -131.78 158.47 41.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.09 111.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.32 12.89 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.72 37.31 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.97 112.06 15.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -51.84 117.92 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -93.65 31.52 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.1 mt -94.4 99.86 11.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.97 -32.43 7.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' CD1' HD11 ' A' ' 80' ' ' LEU . 13.5 mt -51.51 127.1 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.47 -161.95 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.63 -33.88 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 13.3 mt -78.46 -22.96 46.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -83.11 -43.85 15.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . . . -68.48 -44.29 75.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -61.02 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.29 -42.91 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 72' ' ' LEU . 25.3 mt -51.83 -58.76 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.61 -48.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -50.37 -53.76 26.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.06 35.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.75 -141.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.03 32.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -45.46 -37.91 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -108.96 116.64 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.56 120.1 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -109.17 133.86 52.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 36.3 m-85 -131.48 135.84 47.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.3 tp -106.69 90.23 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.24 149.24 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.49 173.52 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -88.7 97.39 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -84.87 176.42 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -122.08 178.81 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 100' ' ' ALA . 34.1 m -60.38 -52.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -51.93 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -53.03 -41.01 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -43.91 -44.59 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -72.48 -38.37 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.14 -24.88 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -105.22 166.62 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 145.87 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.35 98.89 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -44.85 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 t -49.27 -54.29 17.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 124.07 28.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.63 98.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 159.18 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.24 143.66 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.24 -56.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 p -166.36 142.81 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.5 153.3 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 9' ' ' VAL . 2.5 t80 -131.27 161.0 33.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.609 ' O ' ' CE1' ' A' ' 8' ' ' TYR . 37.7 t -130.68 151.05 35.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 36.5 p90 -141.46 137.87 32.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -85.37 158.42 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' CG1' ' OD2' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -140.04 120.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -109.95 102.67 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.3 158.22 17.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -102.27 105.45 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.92 126.75 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.36 -175.07 31.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.22 21.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -112.44 -24.06 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 145.77 -116.04 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER -141.26 14.55 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 47.45 59.05 6.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.403 ' SD ' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -136.51 100.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -69.44 70.36 0.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 40' ' ' ILE . 18.2 mt -77.13 135.29 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -129.4 155.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' HIS . 49.9 t0 -72.3 116.93 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.07 0.3 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.95 -47.69 79.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -54.61 -40.41 68.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.586 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -79.91 149.72 30.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.2 t60 -39.04 -32.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.64 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' ALA . 1.6 tp -41.13 -29.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 42.92 26.25 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' LEU . . . -113.76 151.77 44.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.1 25.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.45 165.07 11.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -100.09 150.87 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.6 m-85 -150.89 145.95 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 25' ' ' LEU . 30.9 mt -63.11 142.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -124.52 -40.97 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.12 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD11 ' CA ' ' A' ' 50' ' ' ALA . 2.3 mm? -119.27 111.62 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -61.92 141.45 95.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 144.53 30.42 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.01 13.58 59.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.494 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -93.6 172.22 6.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' CA ' HD13 ' A' ' 55' ' ' LEU . . . -44.64 -45.87 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' CA ' HD11 ' A' ' 43' ' ' LEU . . . -61.04 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.07 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' CG1' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -47.25 -53.84 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.2 -62.4 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -44.65 -41.03 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' CA ' ' A' ' 49' ' ' ALA . 34.9 mt -58.93 108.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.1 m -104.36 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 mt -77.84 126.54 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.44 -14.67 39.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 85.1 m-20 -45.89 167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.3 ttt180 -135.45 134.95 40.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 mm -87.29 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 mt -119.54 -40.76 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -138.5 161.4 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 2.2 t -150.28 113.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.28 15.26 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.72 19.83 50.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.9 102.79 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -39.41 111.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -112.88 63.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' GLY . 40.8 mt -84.36 98.89 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' LEU . . . 33.81 55.92 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 76' ' ' ARG . 0.2 OUTLIER -84.18 154.18 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -31.94 125.07 0.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -47.25 -44.99 23.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' C ' HG11 ' A' ' 78' ' ' VAL . 6.0 mt -68.29 -23.33 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.53 -55.92 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.52 -42.06 74.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 75' ' ' LEU . 9.8 p -62.89 -46.79 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.33 -54.49 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 mt -41.11 -62.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.42 -53.98 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -53.27 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -91.48 36.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -129.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -172.02 169.44 42.53 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' GLY . 67.3 mttt -40.33 -36.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 113.72 24.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -111.38 129.28 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.1 tmt_? -116.22 144.73 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 38.1 m-85 -144.58 124.93 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -88.29 92.18 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 11.2 t -88.26 153.23 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.92 134.18 54.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 95.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -176.89 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.74 155.52 17.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.2 m -44.32 -47.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -40.26 -61.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.42 -47.52 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.55 -44.58 77.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -47.01 -57.07 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -57.86 -35.31 70.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -66.8 -39.04 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER 49.15 -175.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.639 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.522 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 49.9 m -146.72 -66.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.32 -149.05 5.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.09 15.1 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 t -161.11 145.2 13.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.95 131.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -87.45 -58.24 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 -57.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.88 -155.78 21.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.098 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.99 130.28 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -138.69 -63.78 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.46 17.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 33.5 p90 -110.89 168.9 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.591 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.66 162.52 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CE1' HG23 ' A' ' 92' ' ' VAL . 33.8 p90 -145.9 149.25 33.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.7 m -90.96 158.09 16.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.87 111.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.08 113.51 26.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.55 170.48 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.07 119.0 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 111.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.32 -175.93 37.8 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.52 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -101.64 -23.57 14.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.22 1.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 75.14 -140.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 174.55 78.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.2 mtm -150.54 128.49 11.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -96.21 78.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -76.93 155.55 32.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.641 ' CD1' ' NE2' ' A' ' 30' ' ' HIS . 1.6 tt -164.2 147.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -71.45 155.94 40.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -83.74 37.3 2.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.0 mmm -102.59 -51.83 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.641 ' NE2' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -76.0 -28.9 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 30' ' ' HIS . 16.9 p -80.07 158.06 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.14 -23.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.513 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 6.4 tp -39.47 -59.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.97 16.62 79.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -131.0 142.35 45.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.76 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.563 1.822 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.29 -160.53 34.09 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -129.76 140.21 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -159.25 159.41 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 25' ' ' LEU . 36.5 mt -82.1 139.54 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -116.02 -39.78 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.48 164.51 33.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 3.2 mm? -123.42 99.36 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -40.17 142.52 0.71 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 158.39 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.14 27.3 0.64 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.467 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -101.66 171.13 5.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.048 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 43' ' ' LEU . . . -52.72 -58.0 8.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' HD11 ' A' ' 43' ' ' LEU . . . -52.45 -41.54 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.23 77.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 49' ' ' ALA . 19.1 t70 -47.21 -38.91 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -55.02 4.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.4 -48.3 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.3 mt -55.79 104.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -101.4 169.6 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 mt -82.18 132.98 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.18 -23.49 33.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 99.0 m-20 -43.33 159.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 ttt180 -122.07 122.32 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 mm -77.18 146.68 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 91' ' ' LEU . 41.6 mt -121.65 -45.27 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -130.97 162.17 30.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.62 105.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.95 18.8 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.67 33.02 28.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 102.08 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 m -38.94 127.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 77' ' ' ALA . 10.5 mt -116.75 36.25 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.6 mt -92.87 108.57 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.66 -25.67 22.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 69' ' ' LEU . 8.6 mt -67.15 135.43 53.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.99 149.28 51.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CE1' HG21 ' A' ' 78' ' ' VAL . 10.0 t80 -42.66 -50.84 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.6 -57.42 11.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -52.07 -38.34 56.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 69' ' ' LEU . . . -69.51 -38.89 77.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CE1' ' A' ' 74' ' ' TYR . 79.5 t -57.18 -53.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 11.2 t70 -47.08 -50.37 19.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -48.86 -58.1 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.07 -42.49 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -54.43 -57.86 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' ND1' ' OD1' ' A' ' 79' ' ' ASP . 26.5 m80 -91.3 36.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -36.63 -92.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.49 58.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp 68.25 -64.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.1 mttp -93.72 111.48 23.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -102.59 119.56 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.3 ttt180 -113.34 150.43 32.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 33.3 m-85 -148.62 128.95 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.591 ' CD1' ' CG2' ' A' ' 9' ' ' VAL . 20.9 tp -99.12 92.84 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.95 139.43 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -95.44 141.89 28.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.21 95.72 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 167.12 11.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.94 169.53 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.68 -38.1 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.6 mt-10 -46.79 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLU . 1.9 m -38.69 -39.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -77.56 -45.45 25.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' GLU . 7.8 mttm -39.77 -49.76 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 1.1 mttt -61.88 -45.65 92.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -62.17 -29.05 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' ALA . 55.0 m170 -75.84 124.41 27.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.0 p -63.15 -61.19 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.5 71.15 1.05 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -42.88 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.771 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.6 p -112.3 150.71 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.06 121.65 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.35 -60.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -77.44 -177.47 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 146.09 4.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.97 159.11 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.21 173.23 45.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 94' ' ' LYS . 14.0 p90 -108.89 140.45 42.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 10' ' ' PHE . 39.6 t -94.6 158.97 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 34.4 p90 -148.07 138.33 22.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -85.2 162.8 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -139.93 111.19 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -107.13 108.15 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -116.53 171.04 8.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.43 117.78 32.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LYS . 2.5 ttt180 -40.78 120.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.42 -173.72 33.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 m -96.23 -14.07 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.1 41.36 6.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 86.77 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 55.54 22.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.092 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' LEU . 1.2 ttm -120.37 101.83 8.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -68.69 66.75 0.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 40' ' ' ILE . 17.7 mt -71.39 144.9 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 3.5 tt -144.16 152.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.6 t0 -72.57 126.02 28.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.38 -27.42 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 35' ' ' ALA . 15.4 mmm -70.83 -44.88 65.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ASP . 11.2 m170 -61.03 -13.57 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 p -107.34 159.79 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -54.49 -20.23 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 2.1 tp -44.69 -35.82 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.04 23.46 31.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -125.18 146.97 55.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.97 177.02 26.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.595 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 3.9 mm? -113.54 141.73 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 7.9 m-85 -149.05 159.05 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 25' ' ' LEU . 63.3 mt -82.44 121.84 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -95.87 -31.65 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.57 165.47 35.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.5 mt -143.09 130.22 20.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 156.27 79.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.24 49.64 4.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 p -128.95 160.41 63.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.4 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.1 Cg_endo -75.04 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.7 -21.71 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.32 -32.57 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.17 -42.24 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.0 t70 -55.11 -60.4 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.61 -52.73 0.62 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.11 -45.45 22.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.285 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 HD11 ' CG1' ' A' ' 12' ' ' VAL . 1.5 mp -55.76 108.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -133.74 142.6 48.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.4 mp -44.47 125.54 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.7 -12.65 20.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD2' ' CG1' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -52.23 164.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -132.47 112.02 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -76.72 127.64 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt -109.91 -32.12 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -145.28 159.08 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.13 109.92 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.43 19.02 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.93 21.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 126.3 52.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 p -57.42 131.13 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD23 ' CB ' ' A' ' 77' ' ' ALA . 11.9 mt -123.66 54.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.27 -68.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.23 12.66 67.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mt -92.21 117.87 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.83 -166.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.567 ' CD2' HG21 ' A' ' 78' ' ' VAL . 79.3 t80 -75.48 -67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -45.87 -44.63 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -54.75 -43.82 73.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' CB ' HD23 ' A' ' 69' ' ' LEU . . . -78.62 -32.29 47.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 74' ' ' TYR . 56.6 t -66.32 -46.79 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.78 -33.79 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.55 -54.01 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.485 ' HA ' ' CE ' ' A' ' 88' ' ' MET . 2.0 mp -67.51 -27.99 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.19 -55.12 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.55 35.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.49 -135.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -158.5 -176.59 30.72 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.4 mttm -39.31 -47.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 134.21 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 2.0 mtp -107.09 128.28 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -103.54 138.93 39.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 88' ' ' MET . 29.2 m-85 -138.84 137.35 36.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.5 tp -96.06 89.15 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.513 ' CG1' ' OD2' ' A' ' 59' ' ' ASP . 35.7 t -89.06 157.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.43 167.15 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.45 95.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.6 m -82.18 167.56 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.16 167.71 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.81 -51.3 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.11 -49.63 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -49.96 -43.79 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.34 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -46.78 -55.15 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.68 -39.19 73.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.3 mm -63.37 -36.67 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -149.63 109.66 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 m -96.55 -65.22 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.41 168.96 44.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.46 42.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.1 t 71.41 149.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.6 t -78.96 146.39 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -120.39 153.53 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 92' ' ' VAL . 50.7 t -105.86 154.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 92' ' ' VAL . 29.1 p90 -139.85 138.86 36.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.1 m -83.29 162.39 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.611 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -140.77 111.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 16.9 mt-10 -106.57 111.75 24.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -125.93 170.97 11.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.35 115.22 24.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -38.68 105.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.84 -174.06 12.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.12 20.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -2.7 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 81.53 48.39 5.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 81.39 -137.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.746 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 165.67 65.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.94 101.1 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.794 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -71.51 73.3 0.77 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.666 HD13 HG13 ' A' ' 61' ' ' ILE . 9.5 mt -79.85 142.06 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -137.84 153.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.3 p-10 -70.9 122.78 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.62 -28.76 2.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.42 -33.63 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -73.73 -37.23 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.514 HG21 HD13 ' A' ' 103' ' ' ILE . 29.3 p -81.37 155.67 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -42.56 -34.89 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -40.36 -37.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.34 20.61 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.83 154.25 42.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 163.7 13.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 mm? -93.36 154.51 17.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 67.1 m-85 -151.45 148.43 28.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 59' ' ' ASP . 17.5 mt -69.65 130.68 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 6.5 tt0 -111.68 -42.28 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.71 174.04 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 55' ' ' LEU . 10.5 mt -144.6 93.71 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.713 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -41.17 151.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -58.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.14 51.13 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 36.1 p -128.96 158.68 71.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.4 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -35.5 3.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.048 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.97 -40.61 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -77.53 -47.61 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -24.62 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' HB2' HD21 ' A' ' 14' ' ' LEU . 10.8 t70 -63.57 -55.55 22.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.15 -58.22 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.571 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -43.17 -57.89 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.611 ' CD1' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -43.73 113.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -114.14 155.36 26.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.09 130.15 42.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.56 30.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.647 ' HB2' HD12 ' A' ' 40' ' ' ILE . 54.7 m-20 -40.44 155.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 26.5 ttt180 -122.53 124.79 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.666 HG13 HD13 ' A' ' 25' ' ' LEU . 12.4 mm -78.83 154.43 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 61' ' ' ILE . 36.1 mt -128.48 -46.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -129.97 160.85 32.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.978 HG21 HD11 ' A' ' 81' ' ' ILE . 1.9 t -144.57 108.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 58.78 36.95 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.59 64.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.45 106.26 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -52.12 125.5 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -104.79 46.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.66 85.64 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.84 -20.9 16.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.7 mt -59.83 117.47 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.62 17.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 1.026 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.1 t80 -39.86 -47.1 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.89 -54.35 48.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -49.91 -48.13 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.41 -52.95 63.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 74' ' ' TYR . 37.9 t -53.45 -42.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.27 -59.49 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.978 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -59.19 -43.1 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -55.06 -56.62 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.35 35.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.638 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.95 -144.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.03 178.15 28.61 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -49.95 -36.08 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -112.75 111.19 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -103.35 122.52 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 9.3 mtt180 -111.71 138.44 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.67 ' HD1' HG22 ' A' ' 64' ' ' VAL . 49.4 m-85 -139.18 137.81 36.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LEU . 19.4 tp -109.05 92.41 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.55 155.8 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -112.8 137.12 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.7 97.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.6 m -86.9 174.27 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.65 179.44 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' A' ' 101' ' ' LYS . 78.6 t -71.17 -51.73 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.58 -44.76 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -51.8 -44.3 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -69.37 -43.35 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 97' ' ' VAL . 5.9 mttm -43.7 -52.1 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.04 -38.26 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -68.0 -40.87 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.672 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 22.3 p80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.647 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -126.81 159.0 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.549 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 47.8 t -124.86 162.83 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.6 p90 -145.06 138.19 26.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -86.3 151.87 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.921 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -130.77 111.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.09 106.66 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -116.91 173.42 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -121.26 122.11 39.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -38.3 137.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.42 -171.05 22.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -115.42 -7.35 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 85.39 49.58 4.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.524 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.55 -135.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 166.85 73.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.428 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -145.11 117.34 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -93.71 79.6 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -71.13 143.31 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tt -136.19 160.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.1 t70 -84.09 122.07 28.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.96 -27.32 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.1 mmt -69.69 -40.58 76.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.3 m170 -67.16 -32.52 73.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 103' ' ' ILE . 17.8 p -81.96 158.09 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -30.38 2.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.8 tp -44.96 -47.27 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.93 24.51 68.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.699 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -112.98 152.0 44.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.38 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.466 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 136.56 164.9 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.3 mm? -103.91 146.94 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 27.6 m-85 -148.17 160.42 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt -75.04 123.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 8.4 tt0 -100.92 -41.22 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.98 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -144.59 100.34 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -48.31 154.87 1.01 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -73.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.0 55.39 2.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.478 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 91.2 p -129.64 160.52 64.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -75.01 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.26 -40.98 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.43 -49.86 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.34 -36.79 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.629 ' HB2' HD21 ' A' ' 14' ' ' LEU . 40.7 t0 -52.42 -60.26 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.57 -62.45 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.26 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.921 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.06 115.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -126.78 161.53 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.11 132.03 45.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.96 -24.33 28.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 41.5 m-20 -43.26 154.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.546 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.6 ttt180 -121.18 117.03 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' HD23 ' A' ' 62' ' ' LEU . 4.2 mm -76.04 150.88 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 61' ' ' ILE . 40.6 mt -125.67 -44.16 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.57 163.4 28.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.055 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.15 110.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 60.67 30.36 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.5 40.05 33.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.14 110.65 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 72' ' ' LEU . 96.8 p -41.18 124.18 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.737 HD11 ' HA ' ' A' ' 77' ' ' ALA . 7.8 tp -103.96 -47.23 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 60' ' ' ARG . 4.2 mt -43.13 110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.08 -52.01 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.806 HD22 ' CB ' ' A' ' 76' ' ' ARG . 1.7 mt -43.05 126.55 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.44 138.37 7.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 t80 -38.02 -50.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.42 -58.32 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.806 ' CB ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -46.78 -44.03 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -61.98 -43.67 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 74' ' ' TYR . 59.7 t -64.08 -49.54 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -45.95 64.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.98 -56.07 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.055 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -66.13 -45.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -43.8 -51.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -91.35 35.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.56 104.79 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . -131.54 177.09 18.82 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 64.57 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.4 mtmt -117.23 117.42 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.524 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -119.54 119.94 35.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -115.43 144.83 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.0 m-85 -144.39 139.11 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.7 tp -103.31 90.04 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -105.44 135.13 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.36 -178.9 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -86.07 99.14 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 167.24 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.62 157.21 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 98' ' ' GLU . 9.1 p -49.12 -57.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' N ' HG13 ' A' ' 97' ' ' VAL . 2.7 mm-40 -45.64 -57.21 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -47.69 -47.42 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.53 81.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -45.01 -53.56 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.67 -40.32 75.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.517 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -65.34 -27.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CE1' ' HG2' ' A' ' 94' ' ' LYS . 10.2 p90 -137.74 168.08 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 0.728 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.718 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.21 164.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 33.4 p90 -147.64 140.23 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.1 m -87.43 154.82 20.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -134.01 111.95 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.92 108.31 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -118.97 177.99 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' ARG . 13.7 tt0 -119.1 116.11 25.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' CZ ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -38.33 101.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.55 -175.33 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -20.08 17.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.58 -11.45 17.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.054 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 51.16 1.01 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER 77.86 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -162.29 59.17 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.09 117.73 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.033 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.78 83.33 1.02 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -70.61 142.53 51.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -124.64 154.28 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 34.7 t0 -76.08 121.12 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.91 14.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.21 -19.03 63.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 35.8 m170 -86.03 -34.69 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 103' ' ' ILE . 2.0 p -80.19 152.53 29.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -26.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.587 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 35' ' ' ALA . 7.0 tp -47.58 -37.01 11.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.61 28.41 45.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -116.82 152.33 48.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.63 25.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.89 159.96 10.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 mt -99.32 146.04 26.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 16.9 m-85 -141.25 142.97 33.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 HD22 ' A' ' 55' ' ' LEU . 5.4 mt -55.87 119.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 57' ' ' LEU . 28.9 tt0 -109.86 -31.12 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.92 167.04 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 21.6 mt -145.37 108.68 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -55.74 158.73 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.0 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.71 62.77 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.468 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -130.23 169.98 12.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.797 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.06 -37.93 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.98 -67.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.54 -40.15 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.13 -54.84 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.672 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.3 t70 -48.9 -50.13 36.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.93 -46.04 2.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.58 -42.86 56.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 23' ' ' MET . 37.5 mt -55.95 102.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.4 m -109.37 163.04 13.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.8 mt -75.26 133.25 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.7 -21.55 32.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' HG13 ' A' ' 92' ' ' VAL . 11.0 m-20 -51.4 163.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 33.6 ttt180 -128.6 135.36 49.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -89.96 129.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 93' ' ' ALA . 90.5 mt -107.74 -32.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -147.2 157.7 43.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.003 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -137.93 110.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER 62.1 20.53 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.74 38.9 8.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.27 109.8 12.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -47.66 120.79 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 72' ' ' LEU . 7.1 mt -107.3 60.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -104.6 -71.99 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.55 37.96 3.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 69' ' ' LEU . 13.9 mt -107.28 134.22 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -74.06 152.62 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.75 -39.66 38.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt -73.16 -23.6 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' GLY . 4.6 mmt-85 -80.27 -42.93 22.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -66.75 -52.5 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 79' ' ' ASP . 13.3 p -50.06 -49.13 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -55.88 -54.76 40.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.5 mt -41.46 -51.23 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.003 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -67.25 -44.89 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . 2.7 mtt180 -50.65 -55.38 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' GLY . 32.1 m80 -91.52 35.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -37.19 -91.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 140.94 55.22 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.31 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLY . 5.5 mtpt -94.17 108.11 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.43 120.31 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 13.7 ttp180 -112.85 149.61 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.794 ' HD1' HG22 ' A' ' 64' ' ' VAL . 31.0 m-85 -146.68 127.69 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' VAL . 11.5 tp -88.38 92.91 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 17.2 t -91.33 130.53 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -100.48 130.55 46.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -68.2 96.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 164.53 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.64 172.53 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.504 HG12 ' HE2' ' A' ' 101' ' ' LYS . 55.2 t -65.42 -46.15 90.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -39.67 -56.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -43.6 -43.66 5.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -66.82 -48.76 67.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.504 ' HE2' HG12 ' A' ' 97' ' ' VAL . 64.2 mttm -41.91 -53.28 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -54.23 -43.45 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.581 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -62.16 -22.95 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.4 m170 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.583 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -104.64 147.81 27.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 92' ' ' VAL . 18.8 t -93.02 159.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 40.9 p90 -151.5 139.27 19.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.0 m -85.7 157.16 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.967 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.92 111.89 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 9.4 mt-10 -99.67 103.45 15.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -107.85 153.41 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.88 114.47 28.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 2.1 ttt-85 -42.22 103.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 -170.71 29.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -11.09 21.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -6.94 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.14 47.38 5.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 80.11 -165.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -159.6 66.31 0.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.461 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -140.55 106.32 5.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.66 88.7 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.41 143.52 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.884 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -134.79 152.31 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.37 121.05 18.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.06 -45.87 5.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 mmt -53.8 -40.8 66.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.98 94.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.6 HG21 HD13 ' A' ' 103' ' ' ILE . 2.2 p -79.9 154.31 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -42.68 -28.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.709 HD11 HG23 ' A' ' 99' ' ' THR . 2.3 tp -39.93 -50.1 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.31 10.77 63.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -103.56 154.96 37.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.04 39.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.27 164.58 18.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.605 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 10.2 mt -100.79 155.35 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 22.6 m-85 -148.86 151.19 34.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 24.0 mt -66.28 117.66 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.884 ' OE1' HD13 ' A' ' 26' ' ' ILE . 1.5 tt0 -99.52 -32.72 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.02 167.9 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -144.96 106.48 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.788 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -56.93 152.29 28.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.788 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 -75.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.17 57.73 0.83 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.3 p -131.46 168.91 15.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' HD12 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.02 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.96 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -55.91 -61.09 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -53.78 -42.15 67.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.0 -48.39 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.13 -53.49 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 103.48 -54.47 0.68 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -38.91 -55.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 0.766 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.967 ' CD1' HG11 ' A' ' 12' ' ' VAL . 2.5 mp -40.3 119.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -125.17 158.56 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.55 125.17 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.74 -1.06 36.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 3.5 m-20 -57.56 174.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' HD21 ' A' ' 62' ' ' LEU . 31.7 ttt180 -140.46 124.11 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.9 mm -84.93 133.52 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 93' ' ' ALA . 59.7 mt -111.17 -32.65 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -148.37 147.94 29.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.023 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -131.12 111.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 64.88 12.13 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 29.93 8.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.45 108.15 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 p -48.91 112.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -92.71 52.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -100.64 132.24 46.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.54 22.98 2.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.783 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.1 mt -86.19 126.05 33.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.37 139.4 41.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.964 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.1 t80 -40.48 -40.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -56.49 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.83 -47.41 31.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.41 -39.35 87.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 74' ' ' TYR . 81.6 t -68.18 -46.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 29.3 t0 -62.33 -26.08 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.57 -57.62 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.023 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -69.77 -37.0 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HE ' ' CE1' ' A' ' 83' ' ' HIS . 14.3 ttt180 -54.19 -54.11 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' CE1' ' HE ' ' A' ' 82' ' ' ARG . 17.5 m170 -91.49 35.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.68 -143.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.12 -179.88 28.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.33 -37.04 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -117.12 111.78 19.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 1.3 mtp -97.91 121.38 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 64.1 mtm180 -108.33 134.64 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.751 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.4 m-85 -135.27 130.59 35.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.1 88.93 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 21.5 t -89.45 150.69 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -120.8 152.2 38.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 100.67 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.0 m -82.99 -175.51 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.54 166.0 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 ' N ' ' A' ' 98' ' ' GLU . 11.4 p -61.56 -57.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.582 ' N ' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -40.4 -54.95 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 m -47.97 -42.99 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -68.87 -46.12 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -43.84 -47.11 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.7 mttt -67.7 -36.11 80.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 31' ' ' THR . 15.0 mm -62.53 -33.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.643 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 7.7 p90 -138.0 148.76 45.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 10' ' ' PHE . 33.2 t -96.33 162.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.5 p90 -152.18 137.94 17.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.9 m -82.0 155.81 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.162 HG11 HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -136.61 111.09 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.27 102.74 13.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.5 156.63 18.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ARG . 22.1 tt0 -108.58 109.43 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -38.6 106.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.48 -173.95 27.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.43 15.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -110.37 -23.44 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.52 53.94 0.8 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 76.32 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.73 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 162.9 60.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.575 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -126.78 101.59 6.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.75 65.8 1.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.575 HD21 ' SD ' ' A' ' 23' ' ' MET . 15.4 mt -71.98 141.17 49.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.8 tt -135.72 152.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -70.3 124.43 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.61 -40.39 17.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -61.4 -19.3 61.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -35.48 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.511 HG21 HD13 ' A' ' 103' ' ' ILE . 2.9 p -82.94 155.39 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.7 -32.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -40.98 -33.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.97 20.79 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.865 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.17 152.01 42.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.08 30.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.16 14.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 21.2 mt -99.77 153.13 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 32.3 m-85 -148.52 154.07 39.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 59' ' ' ASP . 18.0 mt -73.55 134.55 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 26' ' ' ILE . 3.1 tt0 -117.64 -38.57 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -145.03 171.2 14.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 55' ' ' LEU . 13.7 mt -144.76 104.2 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.1 mp -49.29 156.11 1.1 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -64.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.45 51.23 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.7 p -127.24 161.35 54.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -42.31 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.865 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -53.17 -28.97 28.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.17 -40.3 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -45.68 68.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.501 ' HB2' HD11 ' A' ' 14' ' ' LEU . 16.8 t0 -48.42 -59.86 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.88 -3.8 49.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 7.7 tpp180 -89.85 -61.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.162 HD13 HG11 ' A' ' 12' ' ' VAL . 1.2 mp -39.4 108.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -105.88 161.08 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.3 mt -73.46 131.38 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -23.3 36.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 40' ' ' ILE . 61.2 m-20 -41.12 160.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -126.33 118.59 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 25' ' ' LEU . 6.5 mm -76.06 148.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' LEU . 54.6 mt -123.99 -43.9 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.63 160.89 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.942 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -141.29 112.84 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.0 18.87 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.46 31.8 21.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 106.74 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.2 p -42.2 127.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 80' ' ' LEU . 7.3 mt -110.12 37.83 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.38 101.32 12.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.4 -38.11 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -53.02 127.25 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -164.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -89.34 -38.2 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' HA ' HG12 ' A' ' 78' ' ' VAL . 8.0 mt -73.23 -23.16 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.506 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.2 mmt-85 -85.2 -38.4 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -72.53 -43.52 63.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 79' ' ' ASP . 8.8 p -59.69 -48.25 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -53.16 -50.15 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.552 HD12 HD21 ' A' ' 69' ' ' LEU . 15.2 mt -43.64 -60.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -58.61 -47.6 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -48.9 -54.49 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' CE1' ' OD2' ' A' ' 79' ' ' ASP . 40.3 m80 -91.73 35.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.53 -135.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.25 171.36 37.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -40.28 -38.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -113.67 116.69 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.596 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.85 120.27 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 144.86 37.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.736 ' HD1' HG22 ' A' ' 64' ' ' VAL . 45.9 m-85 -145.17 130.81 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.7 tp -97.62 91.66 5.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.661 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -104.64 148.34 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.39 142.99 39.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 101.49 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.1 174.91 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -83.7 179.29 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 t -72.16 -41.98 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.31 -55.79 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -43.87 -39.55 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.07 64.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.68 -52.18 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 HG21 ' A' ' 31' ' ' THR . 2.9 mm -62.93 -31.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 2.4 p80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 3.4 p90 -120.41 157.66 28.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 92' ' ' VAL . 19.5 t -101.87 161.08 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 48.7 p90 -148.73 136.6 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -81.51 153.03 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.04 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -131.02 110.81 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 21.0 mt-10 -102.34 109.84 21.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -122.15 170.01 10.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 11.4 tt0 -119.55 138.56 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 108.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.51 -171.07 17.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.8 21.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -106.08 -15.67 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.88 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.771 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.05 -139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 168.62 73.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.56 123.14 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.67 82.82 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -75.31 154.93 37.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.3 tt -149.63 149.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.03 123.28 22.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.26 -23.54 1.9 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -31.44 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -34.79 57.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.7 p -81.99 151.97 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -41.89 -29.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.644 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.9 tp -40.88 -43.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.48 60.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -120.39 154.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.68 22.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.61 155.75 8.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 26' ' ' ILE . 13.9 mt -94.25 142.42 27.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 63.8 m-85 -141.7 138.65 32.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mt -54.02 135.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 57' ' ' LEU . 12.5 tt0 -116.78 -39.84 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.37 167.32 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.2 mt -144.91 102.71 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.82 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -46.34 152.99 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -65.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.28 49.86 4.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.5 p -123.49 161.2 47.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.473 ' C ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 -37.23 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.56 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.81 -43.0 14.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.64 -37.68 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.6 t70 -55.15 -60.47 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.64 -53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.32 -62.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.04 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.66 112.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.9 m -118.1 167.42 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 41' ' ' GLN . 12.0 mt -76.71 125.8 29.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.69 -12.83 46.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' A' ' 92' ' ' VAL . 30.8 m-20 -59.81 137.66 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 13.2 ttt180 -99.83 137.01 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.428 HD13 ' HB ' ' A' ' 92' ' ' VAL . 7.0 mm -91.67 154.45 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 61.5 mt -124.77 -44.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -136.89 152.03 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.095 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -132.23 105.86 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.1 m120 63.5 19.28 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.08 43.75 4.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 112.67 11.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 0.77 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -56.58 112.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -92.45 54.47 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.2 mt -97.02 119.72 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.13 26.35 6.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.914 ' HB2' HD23 ' A' ' 69' ' ' LEU . 5.6 mt -79.74 129.98 34.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -56.42 142.1 40.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' O ' HG12 ' A' ' 78' ' ' VAL . 68.7 t80 -50.12 -28.25 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HA ' HG12 ' A' ' 78' ' ' VAL . 16.5 mt -79.16 -31.15 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.5 mmt-85 -72.99 -43.43 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.978 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.94 -54.04 15.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 75' ' ' LEU . 6.4 p -53.36 -39.93 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 5.9 t70 -61.12 -39.31 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.52 -56.49 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.095 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -67.07 -22.14 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 7.4 ttt180 -77.21 -52.29 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -90.32 35.79 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.31 -141.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.56 -166.87 18.5 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -51.13 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -116.52 165.46 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.771 ' HG3' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -138.81 121.53 16.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 4.3 mtm180 -107.45 138.43 43.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 42.6 m-85 -136.87 140.47 42.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.4 tp -107.78 90.61 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.68 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.03 154.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.96 175.47 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -83.19 100.21 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.24 177.3 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -121.09 179.93 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.588 HG12 ' HD2' ' A' ' 101' ' ' LYS . 82.4 t -72.06 -54.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -44.05 -49.55 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -48.2 -51.32 25.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -62.8 -45.62 91.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.588 ' HD2' HG12 ' A' ' 97' ' ' VAL . 2.7 mttp -44.98 -36.72 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 33' ' ' LEU . 22.5 mttt -77.1 -38.53 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.1 mm -64.32 -30.55 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 m170 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.453 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 11.7 p90 -119.79 145.68 46.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.8 t -101.4 161.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 43.1 p90 -144.79 137.51 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 m -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.063 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.23 111.56 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -104.74 111.44 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 48' ' ' PRO . 1.4 mt -123.42 171.57 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 15.7 tt0 -120.21 150.19 41.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.99 126.89 31.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.35 -175.45 32.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -111.14 -22.78 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.8 55.13 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.732 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.6 OUTLIER 72.88 -141.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.546 ' O ' HD23 ' A' ' 43' ' ' LEU . . . 176.56 60.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.4 122.13 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.15 0.73 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -77.55 143.78 38.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tt -135.99 148.98 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' HIS . 35.9 t0 -65.74 117.85 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.98 -26.67 0.88 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -40.4 60.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.7 m170 -55.0 -38.4 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.449 HG21 HD13 ' A' ' 103' ' ' ILE . 21.9 p -80.44 156.21 26.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.73 -25.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.831 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -46.82 -35.48 6.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 20.12 7.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.127 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.831 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -106.85 152.48 40.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.01 40.67 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 163.27 22.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 7.1 m-85 -129.4 158.3 39.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.5 mt -71.66 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' O ' HD13 ' A' ' 57' ' ' LEU . 2.6 tt0 -113.84 -39.19 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.93 171.12 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 22' ' ' GLY . 8.4 mt -144.46 98.91 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 45' ' ' PRO . 1.1 tt -43.2 140.45 2.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 146.75 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.86 10.3 38.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.459 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -84.93 170.58 13.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.92 -34.95 3.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -64.47 -28.42 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -40.95 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.0 t70 -62.8 -60.26 3.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.07 -60.51 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -41.44 -62.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.063 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.99 114.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -125.24 164.04 21.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.3 mt -72.81 129.51 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.3 -18.9 35.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 64.3 m-20 -50.5 156.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 6.7 ttt85 -123.49 118.85 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.529 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.4 mm -75.0 150.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 60' ' ' ARG . 64.4 mt -123.19 -44.18 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -134.97 161.58 34.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.993 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -139.04 106.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 62.66 26.35 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.04 41.6 8.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.79 114.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.81 116.56 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 ' HB1' ' A' ' 77' ' ' ALA . 5.7 tp -105.36 60.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.01 -77.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.98 41.96 3.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 69' ' ' LEU . 22.1 mt -115.13 131.53 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.42 -163.03 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -90.99 -25.72 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 75' ' ' LEU . 14.7 mt -82.25 -27.66 32.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.2 mmt-85 -80.81 -39.29 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.988 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -70.61 -49.03 52.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 79' ' ' ASP . 9.9 p -54.08 -50.91 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.9 t70 -50.93 -47.39 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.53 -50.41 65.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.993 HD11 HG21 ' A' ' 64' ' ' VAL . 1.9 mp -67.22 -27.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -53.56 10.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OD2' ' A' ' 79' ' ' ASP . 40.8 m80 -92.54 36.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -50.54 -103.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 163.02 76.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 66.39 -73.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -93.16 152.59 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 21' ' ' LEU . 41.3 mmm -120.87 119.98 34.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 131.96 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.735 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.2 m-85 -131.68 141.22 49.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.5 tp -105.02 88.66 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.56 147.12 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.61 -179.94 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 98.22 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -171.65 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.4 175.52 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.53 -44.41 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -48.18 -56.7 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -45.96 -46.32 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -57.32 -49.71 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -41.63 -55.0 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.5 mttt -59.22 -38.62 80.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 31' ' ' THR . 1.4 mm -66.06 -22.84 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -107.74 163.77 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 10' ' ' PHE . 39.1 t -112.23 165.01 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 38.8 p90 -148.09 138.19 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.5 m -84.21 156.03 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -137.64 112.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -106.96 107.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -120.11 172.55 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 17' ' ' GLY . 15.0 tt0 -119.59 122.24 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -38.8 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . . . -71.19 -175.45 21.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.42 17.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -105.66 -15.03 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.586 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 96.23 34.13 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 88.65 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.85 56.77 10.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -124.43 101.98 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.975 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.29 75.32 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.3 mt -81.86 132.12 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.443 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.3 tt -132.41 160.92 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.6 OUTLIER -74.05 117.2 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -40.5 -28.15 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.1 mmt -72.27 -50.16 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -52.28 -42.55 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.549 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HG23 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -79.71 156.62 27.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.2 m170 -51.33 -20.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.956 HD12 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -37.69 -60.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.08 88.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.956 ' HB3' HD12 ' A' ' 33' ' ' LEU . . . -98.9 147.13 32.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.39 31.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.92 -176.69 20.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 5.0 mt -105.99 152.56 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -144.32 155.79 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.541 HD11 ' HG ' ' A' ' 55' ' ' LEU . 18.4 mt -70.46 112.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.8 tt0 -90.06 -37.79 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.98 170.72 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 31.3 mt -143.61 102.32 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 150.09 13.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.46 41.33 3.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 6.3 p -127.68 164.46 36.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.6 Cg_endo -74.94 -44.97 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.5 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -39.77 -52.8 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.83 -54.49 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.49 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 20.2 t70 -46.65 -60.4 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.74 -64.12 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.35 -60.35 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 12' ' ' VAL . 2.3 mp -40.53 114.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.9 m -124.23 164.73 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.59 140.17 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.76 -23.93 28.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -40.7 154.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 32.9 ttt180 -122.48 120.25 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.1 mm -78.7 150.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' LEU . 70.2 mt -123.66 -44.1 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -132.38 161.13 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.066 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.52 105.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.74 24.33 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.71 24.51 58.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 118.97 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -55.18 117.87 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.915 HD11 ' HB1' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -107.23 59.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -103.16 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.37 35.92 4.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.885 ' HB2' HD23 ' A' ' 69' ' ' LEU . 13.1 mt -104.35 133.91 48.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.94 157.91 53.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' HG12 ' A' ' 78' ' ' VAL . 27.3 t80 -58.03 -30.85 66.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 75' ' ' LEU . 15.1 mt -78.54 -25.0 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HD2' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -80.91 -41.19 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -67.15 -50.59 60.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 79' ' ' ASP . 14.6 p -52.33 -54.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.539 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -52.27 -53.54 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.8 mt -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.066 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -65.31 -41.77 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -55.81 -54.99 37.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' GLY . 35.0 m80 -92.68 35.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -38.63 -92.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.72 55.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 15.7 mmtt 68.58 -63.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' GLY . 12.8 mtmt -94.65 110.23 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -104.25 120.63 41.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -113.04 135.5 53.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.762 ' HD1' HG22 ' A' ' 64' ' ' VAL . 35.5 m-85 -133.19 135.36 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 27.2 tp -102.18 89.37 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.66 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -103.46 146.63 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.05 176.83 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 108.53 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.56 -178.05 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.21 178.28 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.53 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.74 -46.91 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.7 HG23 HD21 ' A' ' 33' ' ' LEU . 2.6 m -47.58 -45.28 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -60.87 -56.27 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -39.4 -64.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -42.31 -48.75 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.951 HG12 HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.0 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.574 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 23.7 m170 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 46.6 p90 -116.23 171.56 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.712 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.56 164.63 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 47.3 p90 -146.25 142.53 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.4 m -89.07 153.93 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -129.41 112.26 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 119.82 37.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 52' ' ' ASP . 3.4 mt -134.48 166.62 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -117.46 113.51 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 106.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.7 -175.33 23.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.62 18.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -90.01 -21.98 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.28 49.81 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.7 OUTLIER 74.79 -140.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 171.26 65.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.581 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.61 127.32 23.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 111.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.89 87.45 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -79.66 134.73 36.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.2 tt -121.08 154.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 37.1 t0 -70.75 117.38 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.19 -31.47 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -35.94 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.0 m170 -62.98 -37.48 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 103' ' ' ILE . 7.6 p -80.16 155.15 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -26.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tp -47.75 -38.53 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.0 30.11 45.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -119.79 153.49 54.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 167.55 13.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.2 mm? -107.59 130.12 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 12.3 m-85 -126.64 149.49 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.512 HD11 HD22 ' A' ' 55' ' ' LEU . 21.0 mt -68.13 122.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 4.4 tp-100 -107.13 -29.29 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -151.61 169.82 21.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 57' ' ' LEU . 4.7 mt -143.89 123.99 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -67.81 159.67 77.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -83.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.17 58.67 0.58 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.464 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 5.2 p -129.54 165.32 33.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.95 -36.12 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -63.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.15 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -57.97 -43.36 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.6 t70 -51.12 -55.82 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.86 -61.68 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.93 -56.3 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.581 HD13 ' SD ' ' A' ' 23' ' ' MET . 20.1 mt -39.94 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -114.88 159.15 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 43' ' ' LEU . 7.8 mt -68.6 131.46 45.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.76 -20.78 33.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' HB3' HG13 ' A' ' 92' ' ' VAL . 47.8 m-20 -45.77 163.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 21.6 ttt180 -133.44 126.28 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 92' ' ' VAL . 16.2 mm -81.87 137.1 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 93' ' ' ALA . 76.5 mt -112.85 -32.63 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -150.37 150.11 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -129.35 107.33 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 61.86 14.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 41.45 3.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.482 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -125.74 101.75 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.009 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -42.64 116.41 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.92 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -111.38 61.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -90.8 -82.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.26 35.67 4.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.777 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.0 mt -99.92 119.99 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.8 -176.99 5.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' HA ' HD21 ' A' ' 38' ' ' LEU . 4.8 t80 -65.37 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 6.1 mp -46.51 -29.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -75.21 -49.94 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.37 -56.36 7.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 4.3 p -40.07 -41.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.77 -51.72 67.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 67' ' ' SER . 96.7 mt -41.71 -57.65 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -61.92 -50.38 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -43.74 -56.06 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -92.24 35.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.71 -146.53 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.46 166.66 26.06 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.4 -36.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -108.71 109.03 20.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.763 ' HG3' HD21 ' A' ' 21' ' ' LEU . 77.9 mmm -90.5 119.39 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -114.85 128.93 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.754 ' HD1' HG22 ' A' ' 64' ' ' VAL . 28.0 m-85 -129.69 133.63 47.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.712 HD11 ' CG2' ' A' ' 9' ' ' VAL . 10.1 tp -94.2 89.28 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 59' ' ' ASP . 20.6 t -89.57 132.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -98.66 134.12 42.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -65.3 96.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -94.34 159.68 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.53 167.19 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.1 t -58.16 -39.44 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -49.1 -51.25 32.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -49.94 -33.03 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.93 -41.39 29.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -46.71 -50.05 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 6.0 mttt -64.72 -33.57 76.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 31' ' ' THR . 4.9 mm -66.84 -33.68 65.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -126.61 169.39 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.67 163.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.62 ' CE2' HG22 ' A' ' 92' ' ' VAL . 51.8 p90 -147.12 151.23 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 m -90.53 156.68 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.038 HG11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -140.8 115.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.33 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD21 HG12 ' A' ' 12' ' ' VAL . 3.1 mm? -107.36 157.89 17.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 16.7 tt0 -110.43 108.36 18.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -39.6 112.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.75 -168.84 45.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.24 21.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -115.68 -13.24 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 125.7 -118.11 3.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -138.87 13.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 36.98 64.95 0.61 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.404 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -137.36 101.13 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 0.721 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -78.45 73.84 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD22 HG12 ' A' ' 40' ' ' ILE . 9.5 mt -78.41 130.68 36.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -126.72 153.16 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' MET . 57.4 t0 -74.14 124.41 26.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.83 -27.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -66.77 -48.07 70.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.9 m-70 -51.9 -40.4 60.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.901 HG21 HD13 ' A' ' 103' ' ' ILE . 14.6 p -79.88 -179.09 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.7 -18.27 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tp -49.13 -24.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.73 31.29 1.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.56 152.19 78.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.16 43.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.7 162.38 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.4 mm? -97.51 142.04 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.5 m-85 -144.57 138.68 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 8.0 mt -58.66 133.61 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HB2' HG22 ' A' ' 26' ' ' ILE . 2.8 tt0 -116.48 -38.3 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.65 167.23 23.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -144.59 125.98 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -75.07 156.12 86.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.791 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.99 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.43 43.88 3.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.502 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 51.5 p -118.89 161.86 34.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.05 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -51.32 -31.93 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -48.72 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.17 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' LEU . 13.0 t70 -56.85 -49.74 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.67 -54.35 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.32 -56.74 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.05 HD23 ' HB1' ' A' ' 49' ' ' ALA . 1.6 mp -42.53 111.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -115.68 164.82 13.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.36 130.42 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.62 -22.83 31.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 4.7 m-20 -45.63 159.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.1 ttt180 -124.96 123.09 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 62' ' ' LEU . 19.7 mm -75.1 153.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 93' ' ' ALA . 44.1 mt -128.38 -44.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 79.3 mt-10 -131.87 161.68 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.009 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.17 103.56 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.15 12.37 7.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' HA2' ' NH1' ' A' ' 89' ' ' ARG . . . 99.37 23.32 11.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.803 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -59.42 118.92 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -106.78 60.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.1 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.03 23.82 18.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 HD22 ' A' ' 69' ' ' LEU . 9.4 mt -89.41 126.77 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.04 156.31 41.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.406 ' O ' HG12 ' A' ' 78' ' ' VAL . 8.9 t80 -54.1 -45.61 71.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 78' ' ' VAL . 4.7 mt -65.3 -26.68 68.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.5 mmt-85 -78.33 -45.13 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.95 -47.76 70.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -59.66 -44.64 93.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' CG ' ' CE1' ' A' ' 83' ' ' HIS . 3.6 t0 -56.47 -48.18 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.14 -54.4 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.009 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -64.14 -42.05 94.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -54.89 -57.95 9.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 79' ' ' ASP . 4.9 m80 -91.52 35.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.39 -140.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.9 173.37 32.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 13.7 mmmt -44.37 -37.39 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 114.97 28.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -115.47 120.05 38.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.7 ttm180 -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.75 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.0 m-85 -138.73 137.93 37.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.1 tp -103.4 91.45 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.62 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -100.56 135.59 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -90.93 145.73 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 95.94 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.05 -176.92 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -100.86 169.99 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ALA . 27.5 m -56.18 -48.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 97' ' ' VAL . 14.5 mt-10 -40.56 -55.84 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.46 -38.67 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -76.4 -37.71 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -48.33 -43.46 33.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -63.12 -34.5 77.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 31' ' ' THR . 1.3 mm -75.4 -21.7 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 p90 -130.66 151.47 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.3 t -100.12 160.18 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 92' ' ' VAL . 29.6 p90 -146.82 139.0 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 161.31 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.603 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -143.35 112.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -104.79 102.8 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.603 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.25 165.95 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' ARG . 17.5 tt0 -116.43 106.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.48 107.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.92 -168.89 43.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -7.92 19.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -107.25 -11.2 15.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 48.54 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.8 OUTLIER 80.14 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 163.47 86.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.462 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -148.78 101.4 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.88 64.13 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 61' ' ' ILE . 9.0 mt -73.0 131.6 42.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.528 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.9 tt -132.5 163.63 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.5 t70 -78.77 118.03 20.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -40.58 -27.82 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -70.49 -44.3 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.938 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.6 m170 -61.39 -40.09 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.594 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.644 HG21 HG23 ' A' ' 103' ' ' ILE . 1.7 p -78.94 152.77 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -39.69 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.954 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -41.52 -62.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 83.33 -10.32 59.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.954 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -82.62 149.62 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 122.62 158.58 10.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.02 137.8 31.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 37' ' ' GLY . 74.5 m-85 -138.93 152.0 47.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.642 HD11 HD22 ' A' ' 55' ' ' LEU . 5.0 mt -72.68 131.72 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -111.41 -38.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.65 150.74 33.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CA ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -116.57 102.14 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -43.38 155.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -78.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 56.74 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.492 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 4.0 p -129.8 160.21 66.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.03 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -54.53 -54.36 42.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.791 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -56.72 -60.21 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.77 -36.53 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD2' HG13 ' A' ' 12' ' ' VAL . 1.8 t70 -46.42 -33.31 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.42 -53.96 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -47.93 63.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.642 HD22 HD11 ' A' ' 40' ' ' ILE . 35.2 mt -55.45 104.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -104.51 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 43' ' ' LEU . 11.4 mt -78.09 127.96 33.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.8 -18.41 40.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -48.33 158.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 37.0 ttt180 -123.1 128.59 50.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.556 ' O ' HD23 ' A' ' 62' ' ' LEU . 10.0 mm -80.79 154.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 61' ' ' ILE . 29.7 mt -127.92 -46.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -132.51 160.8 35.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 81' ' ' ILE . 1.7 t -141.27 104.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 62.07 29.14 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 42.31 9.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.17 104.21 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -49.16 115.87 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -94.09 39.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -100.62 102.19 13.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.88 -17.46 54.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 80' ' ' LEU . 11.3 mt -66.6 117.46 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' TYR . . . -59.43 145.93 44.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.3 t80 -37.63 -48.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.48 -57.25 13.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 72' ' ' LEU . 11.8 mmt180 -52.64 -41.11 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.19 -42.84 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 74' ' ' TYR . 64.2 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 45.5 t0 -58.03 -35.83 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -62.44 -56.17 20.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -69.66 -7.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 32.0 ttt180 -88.38 -50.69 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -93.15 28.57 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.56 -140.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.08 -162.34 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -71.35 -28.39 64.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.08 108.39 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 21' ' ' LEU . 64.7 mmm -94.56 118.78 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -110.29 130.32 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' HD1' HG22 ' A' ' 64' ' ' VAL . 41.3 m-85 -129.28 131.83 47.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.5 tp -101.34 89.75 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.81 157.08 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -114.37 145.18 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 95.68 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.5 p -79.08 173.89 12.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.56 172.49 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.9 m -62.83 -49.38 83.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' N ' HG23 ' A' ' 97' ' ' VAL . 2.1 mt-10 -43.81 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -65.78 -51.36 59.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 104' ' ' HIS . 56.6 mttt -44.42 -47.99 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.86 -38.75 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 31' ' ' THR . 2.0 mm -72.27 -33.49 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' LYS . 9.7 m170 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 32.6 p90 -134.59 167.26 21.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.743 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.51 164.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CE1' HG22 ' A' ' 92' ' ' VAL . 32.5 p90 -147.81 147.3 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.4 m -87.76 154.98 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.98 114.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.34 104.75 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -115.8 170.72 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' ARG . 15.1 tt0 -119.28 115.97 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -37.67 123.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.96 -174.93 27.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.18 9.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -108.36 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.6 47.34 4.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mt 80.76 -52.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.7 52.6 9.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.721 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -115.62 101.96 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.02 68.89 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.721 HD21 ' SD ' ' A' ' 23' ' ' MET . 20.8 mt -76.44 132.97 39.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HD13 ' A' ' 38' ' ' LEU . 3.6 tt -128.34 159.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.31 131.7 40.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -59.36 -15.74 32.5 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.91 -41.32 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -67.08 -34.68 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -80.01 154.08 28.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -40.71 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 2.2 tp -40.44 -48.39 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 65.08 9.78 43.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.42 154.24 40.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.17 29.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 171.92 15.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.3 mm? -103.04 149.45 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CE2' ' CD2' ' A' ' 33' ' ' LEU . 6.9 m-85 -141.86 145.45 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 29.3 mt -66.3 122.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.5 tt0 -101.96 -37.15 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -147.9 178.07 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 49' ' ' ALA . 72.4 mt -144.49 101.74 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -45.38 142.22 3.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.05 152.99 41.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.01 19.4 7.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.17 171.24 6.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.043 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.526 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.0 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' HD22 ' A' ' 43' ' ' LEU . . . -63.44 -16.0 59.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.42 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HD21 ' A' ' 14' ' ' LEU . 7.9 t70 -52.29 -59.5 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.58 -60.7 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.22 -60.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 12' ' ' VAL . 1.5 mp -40.13 110.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.57 157.86 21.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.58 131.32 45.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.2 -24.87 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 92' ' ' VAL . 83.0 m-20 -42.02 150.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 19.0 ttt180 -120.48 118.83 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.3 mm -74.92 147.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 93' ' ' ALA . 55.6 mt -122.46 -42.68 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -132.53 156.37 46.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -139.99 111.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.36 18.99 9.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.94 44.83 4.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.96 121.68 9.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.872 HD11 ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -105.01 60.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' LEU . 94.7 mt -98.42 133.68 42.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.0 29.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.7 mt -91.45 120.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.88 -176.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.651 ' CE1' HG21 ' A' ' 78' ' ' VAL . 46.5 t80 -68.33 -66.17 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD12 ' HD1' ' A' ' 74' ' ' TYR . 10.0 mp -45.51 -44.32 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.489 ' HB3' HD22 ' A' ' 72' ' ' LEU . 17.4 mmt180 -53.85 -48.68 69.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.872 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -70.34 -34.34 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 74' ' ' TYR . 61.4 t -67.08 -40.34 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.36 -29.05 70.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 77' ' ' ALA . 87.3 mt -66.86 -56.62 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.029 HD11 HG21 ' A' ' 64' ' ' VAL . 3.2 mp -71.56 -13.4 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -71.5 -47.15 57.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -91.52 33.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . -126.68 104.31 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.73 164.48 21.11 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.33 -77.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 119.88 40.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -126.42 119.96 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -105.28 144.03 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.76 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.9 m-85 -142.51 135.6 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.743 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.3 tp -106.16 93.4 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.653 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.92 129.39 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -83.61 148.28 27.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -79.18 100.31 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.81 167.83 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -85.76 179.64 7.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.05 -40.24 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -45.37 -42.96 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -58.13 -44.51 87.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.01 86.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -47.92 -46.24 31.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -66.55 -32.74 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.72 -33.98 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 10.5 p90 -139.22 143.95 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.9 t -99.38 164.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CE1' HG22 ' A' ' 92' ' ' VAL . 35.1 p90 -149.3 141.97 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 m -90.83 153.18 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.96 118.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -109.14 103.27 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 55' ' ' LEU . 3.2 mm? -105.92 159.85 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -113.08 112.13 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -38.81 114.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.65 -165.67 41.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.45 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -113.18 -20.2 11.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.465 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 136.07 -107.57 0.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.7 OUTLIER -141.2 14.78 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 38.27 55.53 1.98 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.445 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.93 119.7 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.44 85.04 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -85.88 120.66 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.5 tt -124.59 160.02 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -78.8 157.78 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -84.1 23.83 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.35 -52.12 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 1.062 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -72.56 -31.91 65.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.595 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.062 HG23 ' CD2' ' A' ' 30' ' ' HIS . 7.8 p -79.53 148.69 31.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -40.77 -29.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 3.7 tp -38.63 -34.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.35 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -127.38 152.05 75.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.85 18.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 140.64 155.51 6.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.764 HD13 HD21 ' A' ' 69' ' ' LEU . 2.0 mp -93.8 155.31 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 61.1 m-85 -159.28 147.79 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 43' ' ' LEU . 15.3 mt -64.42 116.9 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.642 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -101.74 -35.39 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.27 159.91 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 40' ' ' ILE . 7.4 mt -145.65 116.84 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -65.25 151.63 93.52 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.848 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.01 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.22 52.03 4.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.516 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -129.99 171.29 9.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.988 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.73 -55.28 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -56.46 -44.19 80.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -51.98 -32.49 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -45.54 76.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -48.82 3.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.57 -55.67 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD13 ' HB1' ' A' ' 49' ' ' ALA . 6.7 mt -48.77 115.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 m -121.89 160.16 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 41' ' ' GLN . 6.5 mt -70.67 125.08 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.9 -6.53 31.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 21.1 m-20 -62.84 167.71 4.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.2 ttt180 -131.37 123.95 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.508 HD13 ' HB ' ' A' ' 92' ' ' VAL . 4.4 mm -81.21 146.92 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 91' ' ' LEU . 35.0 mt -120.69 -44.22 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -133.5 161.8 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.013 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -142.37 110.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.37 14.31 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.88 36.72 6.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.96 113.68 17.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 p -45.25 118.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 38' ' ' LEU . 1.2 tp -113.24 61.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.81 -84.08 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.6 41.58 3.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 76' ' ' ARG . 13.4 mt -103.9 130.27 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -65.38 150.34 51.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -52.58 -20.72 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 75' ' ' LEU . 12.2 mt -86.22 -24.97 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -84.55 -39.29 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -71.04 -44.16 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 79' ' ' ASP . 7.7 p -59.06 -47.9 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.6 t70 -55.83 -45.21 78.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.0 mt -49.63 -60.28 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.013 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -64.1 -48.98 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -48.78 -54.91 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -90.97 35.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.98 -142.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.43 178.87 33.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -38.06 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.7 113.68 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -112.55 120.41 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.05 147.46 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.767 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.6 m-85 -144.06 127.99 17.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 23.6 tp -98.23 88.73 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.606 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -102.75 156.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.45 156.88 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 96.7 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.33 169.43 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -179.96 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -74.34 -46.57 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.09 -47.96 11.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -51.98 -53.55 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -53.37 -53.84 45.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -40.13 -55.81 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 8.0 mttt -54.13 -42.93 70.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.6 mm -64.92 -40.12 87.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.5 m170 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.8 t -92.82 155.75 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 37.6 p90 -149.77 137.82 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 89' ' ' ARG . 72.9 m -85.7 155.64 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.81 112.39 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -102.91 117.17 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -128.97 177.58 7.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 12.9 tt0 -115.24 111.46 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -38.71 114.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.01 -171.95 25.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.55 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -121.48 28.23 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 72.91 42.94 43.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER 82.01 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' LEU . . . 130.02 67.06 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.487 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -135.96 130.57 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -97.69 84.62 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.75 137.88 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.4 tt -143.71 147.55 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.1 p30 -75.57 156.99 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.73 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -81.53 40.86 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mmt -103.85 -51.34 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 1.025 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -79.53 -28.05 41.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.605 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.025 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.5 p -79.14 156.34 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -49.42 -22.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.651 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.73 HD23 ' HA3' ' A' ' 28' ' ' GLY . 7.4 tp -38.28 -55.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.77 23.69 76.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -138.08 143.37 39.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.98 138.35 22.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 38' ' ' LEU . . . 159.34 -157.32 28.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.54 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 2.6 mm? -132.51 143.59 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.715 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 6.6 m-85 -160.66 145.89 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.732 HG21 ' CD2' ' A' ' 43' ' ' LEU . 16.3 mt -68.24 135.55 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.787 ' HB2' HG22 ' A' ' 26' ' ' ILE . 5.5 tt0 -109.6 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -152.62 152.23 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.732 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -121.19 91.68 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.603 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -40.09 149.88 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.39 52.22 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.5 p -129.52 158.24 73.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.602 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.89 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.656 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -60.95 -49.38 77.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.34 -38.26 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.1 t70 -47.58 -51.67 20.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.97 -44.12 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -62.27 -43.96 97.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.774 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG21 ' A' ' 92' ' ' VAL . 33.9 mt -56.1 103.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -101.79 165.41 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 43' ' ' LEU . 10.9 mt -79.4 125.21 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ASP . . . 107.07 -12.95 40.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 6.7 m-20 -46.52 172.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -133.38 117.18 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.02 136.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.889 HD11 ' HB2' ' A' ' 93' ' ' ALA . 53.5 mt -112.74 -34.91 5.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 14.3 mt-10 -145.23 160.47 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 81' ' ' ILE . 2.4 t -142.43 108.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER 75.66 -56.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.77 39.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 80' ' ' LEU . 2.7 t -133.46 110.99 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -56.5 121.24 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -98.37 47.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 mt -100.87 71.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.66 -17.97 10.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.6 mt -55.47 118.16 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -49.2 137.75 18.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.945 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.9 t80 -37.9 -51.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.75 -49.47 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CD ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.95 -51.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -58.75 -49.22 78.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 74' ' ' TYR . 58.5 t -47.27 -41.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' LEU . 16.7 t70 -57.91 -55.9 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 67' ' ' SER . 0.8 OUTLIER -38.96 -65.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 64' ' ' VAL . 3.0 mp -58.55 -53.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 83' ' ' HIS . 14.7 ttt180 -44.32 -56.0 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m-70 -95.17 36.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -59.68 -144.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.68 34.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 22.9 mttt -41.5 -37.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -109.31 109.39 20.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.609 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -100.99 119.52 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 11' ' ' THR . 31.5 ttm180 -112.72 141.47 46.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.782 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.5 m-85 -140.25 134.12 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 63' ' ' GLU . 33.1 tp -96.93 90.99 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 t -88.83 150.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.889 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -118.98 143.18 47.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 95.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -86.75 169.47 12.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -87.21 173.79 9.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.551 HG12 ' CD ' ' A' ' 101' ' ' LYS . 69.9 t -67.86 -49.53 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.04 -55.54 3.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -38.32 -58.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -54.91 -53.54 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' CD ' HG12 ' A' ' 97' ' ' VAL . 17.3 mtpt -44.85 -47.08 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 17.7 mttt -59.26 -37.67 78.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.9 mm -70.1 -30.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 16.3 p90 -124.73 142.3 51.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 92' ' ' VAL . 49.4 t -93.86 154.62 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 33.2 p90 -142.84 138.1 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 m -84.55 162.5 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.031 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -142.54 111.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.93 116.98 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.1 mt -128.88 170.69 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.41 124.56 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.01 107.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.6 -176.76 16.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -102.73 -18.54 15.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.07 46.04 2.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.07 -156.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.97 55.18 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.744 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -116.91 101.33 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 111.048 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.12 69.71 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.744 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.4 mt -74.92 154.98 37.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB2' ' A' ' 41' ' ' GLN . 4.3 tt -149.87 154.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' MET . 33.6 t0 -73.97 120.4 19.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.8 -29.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.6 mmm -63.74 -49.35 73.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.5 m170 -56.27 -33.09 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.543 HG21 HD13 ' A' ' 103' ' ' ILE . 21.5 p -86.03 171.66 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -16.41 62.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HD2' ' A' ' 102' ' ' LYS . 2.3 tp -50.22 -29.38 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.08 25.59 1.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -127.78 145.96 56.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -74.97 134.86 18.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.62 27.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.38 140.33 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 24.7 m-85 -150.89 169.62 21.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 25' ' ' LEU . 53.0 mt -93.22 130.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -108.29 -37.67 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -148.02 175.5 10.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 55' ' ' LEU . 19.6 mt -140.75 98.03 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -44.34 141.96 2.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.99 148.53 35.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.56 12.73 34.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 p -93.06 170.33 8.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.617 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -39.06 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 23' ' ' MET . . . -61.29 -17.35 53.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.45 -43.58 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.2 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 12.4 t70 -60.4 -57.37 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.24 -59.4 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.86 -56.22 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.031 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.34 114.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -117.55 179.81 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 41' ' ' GLN . 9.7 mt -89.23 130.53 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.83 -18.08 44.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' HB2' HD12 ' A' ' 40' ' ' ILE . 45.6 m-20 -44.27 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HD3' HD21 ' A' ' 62' ' ' LEU . 20.3 ttt180 -134.65 119.99 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.5 mm -76.83 129.37 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.524 HD21 ' HD3' ' A' ' 60' ' ' ARG . 49.8 mt -107.14 -36.99 6.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -136.03 161.32 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -144.87 113.74 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 56.78 33.04 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 26.72 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -119.73 104.53 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.027 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' SER . 43.2 m -38.4 118.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -94.23 44.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.4 mt -102.64 115.76 31.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 105.06 -56.94 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.572 ' HB2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -39.02 114.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.07 -142.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.579 1.174 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 64.8 t80 -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 75' ' ' LEU . 6.7 mt -89.04 -37.09 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -58.05 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -53.22 -49.92 65.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 5.4 p -60.82 -42.63 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.79 -39.5 77.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.5 mt -59.01 -57.32 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.073 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -64.8 -36.3 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -51.23 65.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -90.89 35.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.66 -144.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.94 62.05 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 -78.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -67.09 107.53 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 71.0 mmm -114.38 120.22 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -117.33 143.47 45.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CD1' HG22 ' A' ' 64' ' ' VAL . 15.7 m-85 -142.38 138.84 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.85 90.02 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 t -87.7 150.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.61 144.86 47.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.7 96.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.34 173.75 8.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.9 166.28 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.3 m -61.6 -50.76 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.482 ' N ' HG23 ' A' ' 97' ' ' VAL . 43.7 mm-40 -40.94 -58.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -40.91 -44.15 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.728 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -73.67 -39.92 64.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' GLU . 39.6 mttt -48.04 -38.33 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' HD12 ' A' ' 33' ' ' LEU . 13.6 mttt -74.03 -33.26 63.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -73.96 -31.34 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.728 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 9.9 p80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 27.3 p90 -101.14 138.46 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.1 t -92.35 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.1 p90 -142.8 138.88 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -83.89 162.3 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -142.13 112.72 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.36 103.12 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -109.22 158.49 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -112.13 110.44 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -38.85 106.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.95 -171.65 31.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.32 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -114.27 -6.01 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 86.49 48.32 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.559 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 83.32 -137.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 169.68 75.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -144.31 122.81 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.71 78.37 0.91 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.55 149.15 47.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 4.4 tt -143.37 153.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' HA ' HD23 ' A' ' 38' ' ' LEU . 3.3 p-10 -76.61 123.86 26.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.18 -22.9 2.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -27.89 62.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.46 -38.13 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HD13 ' A' ' 103' ' ' ILE . 5.2 p -79.85 151.04 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLY . 4.3 m80 -39.61 -35.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -39.77 -32.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 46.03 24.78 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -111.53 155.31 43.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.35 30.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.6 172.8 13.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 27.2 mt -113.33 145.96 40.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 9.9 m-85 -143.83 161.84 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.433 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.3 mt -75.55 123.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 3.8 tt0 -104.32 -31.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -153.2 166.14 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.2 mt -143.0 123.86 14.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.766 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -64.63 159.14 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.766 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -70.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.3 4.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 3.8 p -128.98 162.7 50.39 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.809 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.474 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -74.96 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -60.17 -24.11 64.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -94.4 -32.6 13.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.32 71.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -59.47 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 108.11 -53.15 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -38.42 -49.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -58.68 112.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 135.64 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -40.42 133.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.46 34.79 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 16.5 m-20 -74.62 157.61 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 16.5 ttt180 -126.35 119.9 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.691 HD13 ' HB ' ' A' ' 92' ' ' VAL . 13.0 mm -77.94 146.9 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.8 mt -118.27 -48.18 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -128.92 163.68 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -144.72 106.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.408 ' ND2' ' HA2' ' A' ' 84' ' ' GLY . 15.5 m-20 62.75 25.26 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.79 30.38 35.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.8 103.57 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -46.86 120.68 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -105.23 44.47 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.53 83.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.88 -16.31 10.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 76' ' ' ARG . 6.9 mt -67.83 124.15 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.51 160.87 3.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 1.038 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.0 t80 -55.39 -47.74 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.37 -52.54 63.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.4 mmt180 -50.26 -37.68 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.904 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -72.78 -49.32 31.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 74' ' ' TYR . 44.5 t -51.29 -47.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.24 -50.0 75.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 72' ' ' LEU . 22.2 mt -46.18 -50.82 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.823 HD11 HG21 ' A' ' 64' ' ' VAL . 1.8 mp -68.0 -42.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -52.06 -55.2 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -92.61 35.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.63 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' ND2' ' A' ' 65' ' ' ASN . . . -37.55 -91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.03 54.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 71.46 -63.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -97.79 111.84 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.25 133.9 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.71 ' HD1' HG22 ' A' ' 64' ' ' VAL . 38.5 m-85 -131.69 133.99 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 tp -104.26 89.52 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.691 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -103.45 156.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.26 157.58 18.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 96.06 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.11 178.89 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.1 160.69 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 98' ' ' GLU . 7.5 p -52.06 -57.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.573 ' N ' HG13 ' A' ' 97' ' ' VAL . 11.5 mt-10 -42.76 -57.66 2.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.532 HG23 HD11 ' A' ' 33' ' ' LEU . 1.3 m -45.03 -35.06 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 97' ' ' VAL . . . -73.41 -42.03 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 98' ' ' GLU . 20.9 mttt -45.65 -51.75 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 4.3 mttt -56.1 -40.61 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.502 HD13 HG21 ' A' ' 31' ' ' THR . 2.0 mm -63.9 -17.53 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 5.1 p90 -130.67 155.72 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.1 t -103.37 163.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.2 p90 -147.4 137.92 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -83.88 159.9 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -138.51 111.79 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -104.22 108.51 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.847 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.3 mt -122.18 174.06 7.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.6 tt0 -126.23 112.82 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -37.96 108.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 -173.06 48.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.87 8.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -110.3 -22.38 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 46.15 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 77.73 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 44' ' ' LEU . . . 74.53 63.6 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.75 104.7 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.781 . . . . 0.0 111.004 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.33 73.03 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 40' ' ' ILE . 12.3 mt -83.32 129.44 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tt -125.93 158.21 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -73.53 120.57 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.541 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -41.96 -29.69 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.95 -42.83 80.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.1 m-70 -61.05 -38.64 86.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 p -81.26 155.77 25.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -44.27 -30.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.565 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.3 tp -40.02 -41.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 14.22 31.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.6 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -105.83 155.03 38.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.43 40.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.09 170.82 25.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.2 mm? -100.57 148.55 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 19.9 m-85 -143.24 148.51 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.576 HG21 ' CD2' ' A' ' 43' ' ' LEU . 7.3 mt -70.96 128.99 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -113.21 -29.46 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -114.41 136.12 53.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.14 137.73 37.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.46 39.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 15.88 23.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.4 p -97.33 166.61 13.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.588 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 -36.01 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.63 -62.56 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.792 ' HB2' HD12 ' A' ' 43' ' ' LEU . . . -58.44 -47.49 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 47' ' ' SER . . . -44.32 -46.42 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB2' HD21 ' A' ' 14' ' ' LEU . 24.6 t70 -46.85 -40.2 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . 87.53 -55.51 4.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.09 -41.21 16.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -66.51 105.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -126.42 143.41 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -44.49 137.25 3.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.28 -24.57 28.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' HB3' HG21 ' A' ' 92' ' ' VAL . 5.9 m-20 -53.38 153.74 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 24.9 ttt180 -124.58 122.8 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.593 HD13 ' HB ' ' A' ' 92' ' ' VAL . 11.2 mm -79.35 151.5 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 56.8 mt -123.46 -46.9 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -131.78 158.47 41.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.041 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -141.09 111.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.32 12.89 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.72 37.31 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.97 112.06 15.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -51.84 117.92 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -93.65 31.52 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.1 mt -94.4 99.86 11.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.97 -32.43 7.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 69' ' ' LEU . 13.5 mt -51.51 127.1 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.47 -161.95 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.63 -33.88 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.498 ' HA ' HG12 ' A' ' 78' ' ' VAL . 13.3 mt -78.46 -22.96 46.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' HB3' HD22 ' A' ' 72' ' ' LEU . 13.2 mmt-85 -83.11 -43.85 15.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.48 -44.29 75.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -61.02 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 78' ' ' VAL . 9.7 t70 -57.29 -42.91 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 72' ' ' LEU . 25.3 mt -51.83 -58.76 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -65.61 -48.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -50.37 -53.76 26.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.06 35.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.75 -141.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.03 32.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 10.8 mttm -45.46 -37.91 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -108.96 116.64 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.56 120.1 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -109.17 133.86 52.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.775 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.3 m-85 -131.48 135.84 47.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.3 tp -106.69 90.23 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.24 149.24 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.49 173.52 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -88.7 97.39 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -84.87 176.42 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -122.08 178.81 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 98' ' ' GLU . 34.1 m -60.38 -52.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -41.32 -51.93 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -53.03 -41.01 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -43.91 -44.59 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.564 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.3 mttt -72.48 -38.37 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.427 HG23 ' OE1' ' A' ' 41' ' ' GLN . 1.6 mm -64.14 -24.88 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.7 m170 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 9' ' ' VAL . 2.5 t80 -131.27 161.0 33.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 92' ' ' VAL . 37.7 t -130.68 151.05 35.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 36.5 p90 -141.46 137.87 32.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -85.37 158.42 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -140.04 120.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -109.95 102.67 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD11 ' OD1' ' A' ' 52' ' ' ASP . 3.1 mm? -106.3 158.22 17.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -102.27 105.45 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.92 126.75 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.36 -175.07 31.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.22 21.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -112.44 -24.06 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 145.77 -116.04 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER -141.26 14.55 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 47.45 59.05 6.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.406 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -136.51 100.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -69.44 70.36 0.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 ' SD ' ' A' ' 23' ' ' MET . 18.2 mt -77.13 135.29 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -129.4 155.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' HIS . 49.9 t0 -72.3 116.93 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.07 0.3 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.95 -47.69 79.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -54.61 -40.41 68.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.586 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -79.91 149.72 30.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.2 t60 -39.04 -32.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.64 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tp -41.13 -29.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 42.92 26.25 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -113.76 151.77 44.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.1 25.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 125.45 165.07 11.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -100.09 150.87 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.6 m-85 -150.89 145.95 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.692 HD11 HD22 ' A' ' 55' ' ' LEU . 30.9 mt -63.11 142.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -124.52 -40.97 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.12 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD12 ' CA ' ' A' ' 50' ' ' ALA . 2.3 mm? -119.27 111.62 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -61.92 141.45 95.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 144.53 30.42 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.01 13.58 59.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.493 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -93.6 172.22 6.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.64 -45.87 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.772 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -61.04 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.07 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' OD1' HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -47.25 -53.84 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.2 -62.4 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -44.65 -41.03 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.773 HD13 ' HB1' ' A' ' 49' ' ' ALA . 34.9 mt -58.93 108.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.1 m -104.36 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.726 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.3 mt -77.84 126.54 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.44 -14.67 39.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.508 ' HB3' HG13 ' A' ' 92' ' ' VAL . 85.1 m-20 -45.89 167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.3 ttt180 -135.45 134.95 40.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.464 ' O ' HD23 ' A' ' 62' ' ' LEU . 13.5 mm -87.29 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 93' ' ' ALA . 21.7 mt -119.54 -40.76 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' OE1' HD22 ' A' ' 91' ' ' LEU . 83.3 mt-10 -138.5 161.4 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -150.28 113.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.28 15.26 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.72 19.83 50.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.9 102.79 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -39.41 111.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.88 63.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' GLY . 40.8 mt -84.36 98.89 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' LEU . . . 33.81 55.92 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.779 HD11 ' CB ' ' A' ' 76' ' ' ARG . 0.2 OUTLIER -84.18 154.18 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.7 ' H ' HD12 ' A' ' 72' ' ' LEU . . . -31.94 125.07 0.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' O ' HG12 ' A' ' 78' ' ' VAL . 65.7 t80 -47.25 -44.99 23.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 75' ' ' LEU . 6.0 mt -68.29 -23.33 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.779 ' CB ' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.53 -55.92 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.672 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -55.52 -42.06 74.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 74' ' ' TYR . 9.8 p -62.89 -46.79 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 78' ' ' VAL . 11.5 t70 -54.33 -54.49 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 80' ' ' LEU . 12.9 mt -41.11 -62.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.623 HD11 HG21 ' A' ' 64' ' ' VAL . 1.7 mp -61.42 -53.98 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -53.27 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -91.48 36.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -129.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -172.02 169.44 42.53 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' GLY . 67.3 mttt -40.33 -36.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 113.72 24.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -111.38 129.28 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.695 HH21 HD13 ' A' ' 91' ' ' LEU . 2.1 tmt_? -116.22 144.73 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CD1' HG22 ' A' ' 64' ' ' VAL . 38.1 m-85 -144.58 124.93 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.695 HD13 HH21 ' A' ' 89' ' ' ARG . 15.4 tp -88.29 92.18 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.2 t -88.26 153.23 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.68 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.92 134.18 54.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 95.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -176.89 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.74 155.52 17.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 98' ' ' GLU . 19.2 m -44.32 -47.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 97' ' ' VAL . 33.3 mt-10 -40.26 -61.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.42 -47.52 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.55 -44.58 77.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -47.01 -57.07 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -57.86 -35.31 70.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -66.8 -39.04 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 33.5 p90 -110.89 168.9 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.66 162.52 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.632 ' CE1' HG22 ' A' ' 92' ' ' VAL . 33.8 p90 -145.9 149.25 33.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.7 m -90.96 158.09 16.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -140.87 111.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.08 113.51 26.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -124.55 170.48 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.07 119.0 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 111.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.32 -175.93 37.8 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.52 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -101.64 -23.57 14.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.22 1.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.582 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.6 OUTLIER 75.14 -140.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 174.55 78.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.2 mtm -150.54 128.49 11.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -96.21 78.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -76.93 155.55 32.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.6 tt -164.2 147.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 55.0 p30 -71.45 155.94 40.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -83.74 37.3 2.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 36' ' ' PRO . 54.0 mmm -102.59 -51.83 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 1.063 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -76.0 -28.9 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.063 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.9 p -80.07 158.06 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.14 -23.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD23 ' HA3' ' A' ' 28' ' ' GLY . 6.4 tp -39.47 -59.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.97 16.62 79.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -131.0 142.35 45.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 18.2 Cg_endo -74.99 131.76 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.563 1.822 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . 168.29 -160.53 34.09 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -129.76 140.21 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 4.9 m-85 -159.25 159.41 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 36.5 mt -82.1 139.54 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -116.02 -39.78 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.417 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -147.48 164.51 33.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 50' ' ' ALA . 3.2 mm? -123.42 99.36 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -40.17 142.52 0.71 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 158.39 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.14 27.3 0.64 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -101.66 171.13 5.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.048 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -52.72 -58.0 8.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 43' ' ' LEU . . . -52.45 -41.54 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.23 77.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB2' HD21 ' A' ' 14' ' ' LEU . 19.1 t70 -47.21 -38.91 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -55.02 4.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.4 -48.3 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 40' ' ' ILE . 23.3 mt -55.79 104.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -101.4 169.6 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.793 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.0 mt -82.18 132.98 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.18 -23.49 33.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 99.0 m-20 -43.33 159.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 ttt180 -122.07 122.32 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 mm -77.18 146.68 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 93' ' ' ALA . 41.6 mt -121.65 -45.27 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 91' ' ' LEU . 41.0 mt-10 -130.97 162.17 30.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -144.62 105.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.95 18.8 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.67 33.02 28.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 102.08 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 m -38.94 127.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 HD12 ' A' ' 80' ' ' LEU . 10.5 mt -116.75 36.25 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.6 mt -92.87 108.57 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.66 -25.67 22.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 69' ' ' LEU . 8.6 mt -67.15 135.43 53.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.99 149.28 51.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 10.0 t80 -42.66 -50.84 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.6 -57.42 11.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.3 mmt-85 -52.07 -38.34 56.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 69' ' ' LEU . . . -69.51 -38.89 77.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 79.5 t -57.18 -53.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 11.2 t70 -47.08 -50.37 19.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.988 HD12 HD21 ' A' ' 69' ' ' LEU . 14.4 mt -48.86 -58.1 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.95 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -60.07 -42.49 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 78' ' ' VAL . 1.5 mmp_? -54.43 -57.86 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' ND1' ' OD1' ' A' ' 79' ' ' ASP . 26.5 m80 -91.3 36.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -36.63 -92.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.49 58.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp 68.25 -64.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.1 mttp -93.72 111.48 23.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.59 119.56 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.3 ttt180 -113.34 150.43 32.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.759 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.3 m-85 -148.62 128.95 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 9' ' ' VAL . 20.9 tp -99.12 92.84 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.95 139.43 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -95.44 141.89 28.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.21 95.72 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 167.12 11.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.94 169.53 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.68 -38.1 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.6 mt-10 -46.79 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLU . 1.9 m -38.69 -39.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -77.56 -45.45 25.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' GLU . 7.8 mttm -39.77 -49.76 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 1.1 mttt -61.88 -45.65 92.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -62.17 -29.05 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' ALA . 55.0 m170 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 94' ' ' LYS . 14.0 p90 -108.89 140.45 42.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG11 HD12 ' A' ' 62' ' ' LEU . 39.6 t -94.6 158.97 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 34.4 p90 -148.07 138.33 22.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -85.2 162.8 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.856 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -139.93 111.19 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -107.13 108.15 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -116.53 171.04 8.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.43 117.78 32.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LYS . 2.5 ttt180 -40.78 120.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.42 -173.72 33.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 m -96.23 -14.07 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.1 41.36 6.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 86.77 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 55.54 22.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.092 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.786 ' SD ' HD21 ' A' ' 25' ' ' LEU . 1.2 ttm -120.37 101.83 8.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -68.69 66.75 0.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.786 HD21 ' SD ' ' A' ' 23' ' ' MET . 17.7 mt -71.39 144.9 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.5 tt -144.16 152.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.6 t0 -72.57 126.02 28.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.38 -27.42 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 35' ' ' ALA . 15.4 mmm -70.83 -44.88 65.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ASP . 11.2 m170 -61.03 -13.57 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 p -107.34 159.79 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -54.49 -20.23 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 35' ' ' ALA . 2.1 tp -44.69 -35.82 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.04 23.46 31.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -125.18 146.97 55.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.527 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 152.97 177.02 26.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.595 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 3.9 mm? -113.54 141.73 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 7.9 m-85 -149.05 159.05 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 25' ' ' LEU . 63.3 mt -82.44 121.84 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 26' ' ' ILE . 1.2 tt0 -95.87 -31.65 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -153.57 165.47 35.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.756 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.5 mt -143.09 130.22 20.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.55 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -78.09 156.27 79.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.24 49.64 4.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 p -128.95 160.41 63.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.04 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.7 -21.71 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.32 -32.57 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.17 -42.24 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.775 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.0 t70 -55.11 -60.4 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.61 -52.73 0.62 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.11 -45.45 22.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.285 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.856 ' CD1' HG11 ' A' ' 12' ' ' VAL . 1.5 mp -55.76 108.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -133.74 142.6 48.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.756 ' CD1' HD12 ' A' ' 43' ' ' LEU . 1.4 mp -44.47 125.54 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.7 -12.65 20.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.585 ' OD2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -52.23 164.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -132.47 112.02 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -76.72 127.64 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 93' ' ' ALA . 30.1 mt -109.91 -32.12 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -145.28 159.08 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.03 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -140.13 109.92 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.43 19.02 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.93 21.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 126.3 52.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 p -57.42 131.13 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 77' ' ' ALA . 11.9 mt -123.66 54.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.27 -68.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.23 12.66 67.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 76' ' ' ARG . 8.0 mt -92.21 117.87 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.83 -166.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 78' ' ' VAL . 79.3 t80 -75.48 -67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 74' ' ' TYR . 7.5 mp -45.87 -44.63 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.686 ' HB3' HD22 ' A' ' 72' ' ' LEU . 21.1 mmt180 -54.75 -43.82 73.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -78.62 -32.29 47.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 74' ' ' TYR . 56.6 t -66.32 -46.79 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.78 -33.79 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -61.55 -54.01 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.03 HD11 HG21 ' A' ' 64' ' ' VAL . 2.0 mp -67.51 -27.99 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.19 -55.12 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.55 35.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.49 -135.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -158.5 -176.59 30.72 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.4 mttm -39.31 -47.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 134.21 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.854 ' HG3' HD21 ' A' ' 21' ' ' LEU . 2.0 mtp -107.09 128.28 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -103.54 138.93 39.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.678 ' HD1' HG22 ' A' ' 64' ' ' VAL . 29.2 m-85 -138.84 137.35 36.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.5 tp -96.06 89.15 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' OD2' ' A' ' 59' ' ' ASP . 35.7 t -89.06 157.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.43 167.15 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.45 95.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.6 m -82.18 167.56 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.16 167.71 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.1 m -60.81 -51.3 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.492 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.11 -49.63 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -49.96 -43.79 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.34 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -46.78 -55.15 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.68 -39.19 73.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.3 mm -63.37 -36.67 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.584 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.93 -58.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t 62.5 156.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 -172.16 37.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 m 67.08 143.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 0.719 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -72.06 174.55 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.58 -122.74 2.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.092 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -120.39 153.53 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 92' ' ' VAL . 50.7 t -105.86 154.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 92' ' ' VAL . 29.1 p90 -139.85 138.86 36.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.1 m -83.29 162.39 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.611 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -140.77 111.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 16.9 mt-10 -106.57 111.75 24.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -125.93 170.97 11.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.35 115.22 24.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -38.68 105.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.84 -174.06 12.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.12 20.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -2.7 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 81.53 48.39 5.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 81.39 -137.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.746 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 165.67 65.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.94 101.1 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.794 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -71.51 73.3 0.77 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.666 HD13 HG13 ' A' ' 61' ' ' ILE . 9.5 mt -79.85 142.06 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -137.84 153.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.3 p-10 -70.9 122.78 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.62 -28.76 2.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.42 -33.63 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -73.73 -37.23 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.514 HG21 HD13 ' A' ' 103' ' ' ILE . 29.3 p -81.37 155.67 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -42.56 -34.89 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -40.36 -37.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.34 20.61 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.83 154.25 42.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 163.7 13.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 mm? -93.36 154.51 17.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 67.1 m-85 -151.45 148.43 28.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 59' ' ' ASP . 17.5 mt -69.65 130.68 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 6.5 tt0 -111.68 -42.28 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.71 174.04 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 55' ' ' LEU . 10.5 mt -144.6 93.71 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.713 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -41.17 151.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -58.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.14 51.13 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 36.1 p -128.96 158.68 71.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.4 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -35.5 3.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.048 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.97 -40.61 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -77.53 -47.61 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -24.62 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' HB2' HD21 ' A' ' 14' ' ' LEU . 10.8 t70 -63.57 -55.55 22.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.15 -58.22 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.571 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -43.17 -57.89 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.611 ' CD1' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -43.73 113.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -114.14 155.36 26.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.09 130.15 42.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.56 30.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.647 ' HB2' HD12 ' A' ' 40' ' ' ILE . 54.7 m-20 -40.44 155.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 26.5 ttt180 -122.53 124.79 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.666 HG13 HD13 ' A' ' 25' ' ' LEU . 12.4 mm -78.83 154.43 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 61' ' ' ILE . 36.1 mt -128.48 -46.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -129.97 160.85 32.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.978 HG21 HD11 ' A' ' 81' ' ' ILE . 1.9 t -144.57 108.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 58.78 36.95 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.59 64.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.45 106.26 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -52.12 125.5 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -104.79 46.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.66 85.64 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.84 -20.9 16.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.7 mt -59.83 117.47 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.62 17.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 1.026 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.1 t80 -39.86 -47.1 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.89 -54.35 48.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -49.91 -48.13 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.41 -52.95 63.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 74' ' ' TYR . 37.9 t -53.45 -42.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.27 -59.49 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.978 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -59.19 -43.1 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -55.06 -56.62 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.35 35.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.638 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.95 -144.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.03 178.15 28.61 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -49.95 -36.08 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -112.75 111.19 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -103.35 122.52 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 9.3 mtt180 -111.71 138.44 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.67 ' HD1' HG22 ' A' ' 64' ' ' VAL . 49.4 m-85 -139.18 137.81 36.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LEU . 19.4 tp -109.05 92.41 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.55 155.8 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -112.8 137.12 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.7 97.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.6 m -86.9 174.27 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.65 179.44 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' A' ' 101' ' ' LYS . 78.6 t -71.17 -51.73 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.58 -44.76 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -51.8 -44.3 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -69.37 -43.35 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 97' ' ' VAL . 5.9 mttm -43.7 -52.1 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.04 -38.26 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -68.0 -40.87 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.672 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 22.3 p80 -129.66 96.93 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.647 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.79 91.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -81.75 -169.0 42.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.57 18.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m 59.72 113.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.952 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 t -53.74 119.23 4.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -155.9 -58.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -176.1 165.55 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.6 146.42 5.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.31 167.76 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.91 163.33 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.35 66.61 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -126.81 159.0 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.549 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 47.8 t -124.86 162.83 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.6 p90 -145.06 138.19 26.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -86.3 151.87 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.921 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -130.77 111.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.09 106.66 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -116.91 173.42 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -121.26 122.11 39.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -38.3 137.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.42 -171.05 22.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -115.42 -7.35 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 85.39 49.58 4.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.55 -135.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 166.85 73.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.428 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -145.11 117.34 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -93.71 79.6 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -71.13 143.31 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tt -136.19 160.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.1 t70 -84.09 122.07 28.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.96 -27.32 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.1 mmt -69.69 -40.58 76.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.3 m170 -67.16 -32.52 73.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 103' ' ' ILE . 17.8 p -81.96 158.09 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -30.38 2.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.8 tp -44.96 -47.27 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.93 24.51 68.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.699 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -112.98 152.0 44.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.38 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.466 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 136.56 164.9 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.3 mm? -103.91 146.94 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 27.6 m-85 -148.17 160.42 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt -75.04 123.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 8.4 tt0 -100.92 -41.22 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.98 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -144.59 100.34 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -48.31 154.87 1.01 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -73.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.0 55.39 2.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.478 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 91.2 p -129.64 160.52 64.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -75.01 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.26 -40.98 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.43 -49.86 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.34 -36.79 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.629 ' HB2' HD21 ' A' ' 14' ' ' LEU . 40.7 t0 -52.42 -60.26 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.57 -62.45 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.26 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.921 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.06 115.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -126.78 161.53 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.11 132.03 45.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.96 -24.33 28.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 41.5 m-20 -43.26 154.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.546 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.6 ttt180 -121.18 117.03 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' HD23 ' A' ' 62' ' ' LEU . 4.2 mm -76.04 150.88 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 61' ' ' ILE . 40.6 mt -125.67 -44.16 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.57 163.4 28.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.055 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.15 110.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 60.67 30.36 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.5 40.05 33.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.14 110.65 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 72' ' ' LEU . 96.8 p -41.18 124.18 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.737 HD11 ' HA ' ' A' ' 77' ' ' ALA . 7.8 tp -103.96 -47.23 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 60' ' ' ARG . 4.2 mt -43.13 110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.08 -52.01 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.806 HD22 ' CB ' ' A' ' 76' ' ' ARG . 1.7 mt -43.05 126.55 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.44 138.37 7.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 t80 -38.02 -50.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.42 -58.32 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.806 ' CB ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -46.78 -44.03 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -61.98 -43.67 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 74' ' ' TYR . 59.7 t -64.08 -49.54 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -45.95 64.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.98 -56.07 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.055 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -66.13 -45.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -43.8 -51.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -91.35 35.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.56 104.79 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . -131.54 177.09 18.82 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 64.57 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.4 mtmt -117.23 117.42 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.524 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -119.54 119.94 35.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -115.43 144.83 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.0 m-85 -144.39 139.11 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.7 tp -103.31 90.04 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -105.44 135.13 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.36 -178.9 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -86.07 99.14 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 167.24 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.62 157.21 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 98' ' ' GLU . 9.1 p -49.12 -57.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' N ' HG13 ' A' ' 97' ' ' VAL . 2.7 mm-40 -45.64 -57.21 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -47.69 -47.42 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.53 81.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -45.01 -53.56 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.67 -40.32 75.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.517 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -65.34 -27.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.41 140.01 29.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.68 128.11 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.22 123.07 6.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.3 p -83.88 126.44 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.29 115.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m 63.31 126.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -95.64 -57.33 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.45 148.17 22.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.42 172.56 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -95.32 131.22 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.79 135.6 8.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CE1' ' HG2' ' A' ' 94' ' ' LYS . 10.2 p90 -137.74 168.08 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 0.728 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.718 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.21 164.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 33.4 p90 -147.64 140.23 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.1 m -87.43 154.82 20.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -134.01 111.95 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.92 108.31 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -118.97 177.99 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' ARG . 13.7 tt0 -119.1 116.11 25.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' CZ ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -38.33 101.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.55 -175.33 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -20.08 17.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.58 -11.45 17.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.054 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 51.16 1.01 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER 77.86 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -162.29 59.17 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.09 117.73 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.033 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.78 83.33 1.02 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -70.61 142.53 51.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -124.64 154.28 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 34.7 t0 -76.08 121.12 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.91 14.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.21 -19.03 63.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 35.8 m170 -86.03 -34.69 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 103' ' ' ILE . 2.0 p -80.19 152.53 29.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -26.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.587 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 35' ' ' ALA . 7.0 tp -47.58 -37.01 11.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.61 28.41 45.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -116.82 152.33 48.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.63 25.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.89 159.96 10.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 mt -99.32 146.04 26.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 16.9 m-85 -141.25 142.97 33.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 HD22 ' A' ' 55' ' ' LEU . 5.4 mt -55.87 119.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 57' ' ' LEU . 28.9 tt0 -109.86 -31.12 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.92 167.04 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 21.6 mt -145.37 108.68 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -55.74 158.73 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.0 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.71 62.77 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.468 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -130.23 169.98 12.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.797 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.06 -37.93 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.98 -67.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.54 -40.15 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.13 -54.84 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.672 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.3 t70 -48.9 -50.13 36.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.93 -46.04 2.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.58 -42.86 56.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 23' ' ' MET . 37.5 mt -55.95 102.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.4 m -109.37 163.04 13.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.8 mt -75.26 133.25 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.7 -21.55 32.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' HG13 ' A' ' 92' ' ' VAL . 11.0 m-20 -51.4 163.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 33.6 ttt180 -128.6 135.36 49.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -89.96 129.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 93' ' ' ALA . 90.5 mt -107.74 -32.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -147.2 157.7 43.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.003 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -137.93 110.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' A' ' 65' ' ' ASN . 0.2 OUTLIER 62.1 20.53 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.74 38.9 8.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.27 109.8 12.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -47.66 120.79 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 72' ' ' LEU . 7.1 mt -107.3 60.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -104.6 -71.99 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.55 37.96 3.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 69' ' ' LEU . 13.9 mt -107.28 134.22 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -74.06 152.62 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.75 -39.66 38.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt -73.16 -23.6 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' GLY . 4.6 mmt-85 -80.27 -42.93 22.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -66.75 -52.5 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 79' ' ' ASP . 13.3 p -50.06 -49.13 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -55.88 -54.76 40.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.5 mt -41.46 -51.23 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.003 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -67.25 -44.89 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . 2.7 mtt180 -50.65 -55.38 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' GLY . 32.1 m80 -91.52 35.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -37.19 -91.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 140.94 55.22 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.31 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLY . 5.5 mtpt -94.17 108.11 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.43 120.31 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 13.7 ttp180 -112.85 149.61 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.794 ' HD1' HG22 ' A' ' 64' ' ' VAL . 31.0 m-85 -146.68 127.69 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' VAL . 11.5 tp -88.38 92.91 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 17.2 t -91.33 130.53 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -100.48 130.55 46.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -68.2 96.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 164.53 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.64 172.53 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.504 HG12 ' HE2' ' A' ' 101' ' ' LYS . 55.2 t -65.42 -46.15 90.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -39.67 -56.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -43.6 -43.66 5.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -66.82 -48.76 67.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.504 ' HE2' HG12 ' A' ' 97' ' ' VAL . 64.2 mttm -41.91 -53.28 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -54.23 -43.45 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.581 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -62.16 -22.95 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -94.3 143.86 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.583 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.4 p -127.61 106.05 8.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -118.35 -96.25 1.77 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.7 m -103.56 -66.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 m -82.04 108.93 15.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.31 114.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.16 -60.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 174.86 45.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.16 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 163.27 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.46 102.95 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -104.64 147.81 27.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 92' ' ' VAL . 18.8 t -93.02 159.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 40.9 p90 -151.5 139.27 19.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.0 m -85.7 157.16 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.967 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.92 111.89 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 9.4 mt-10 -99.67 103.45 15.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -107.85 153.41 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.88 114.47 28.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 2.1 ttt-85 -42.22 103.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 -170.71 29.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -11.09 21.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -6.94 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.14 47.38 5.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 80.11 -165.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -159.6 66.31 0.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.461 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -140.55 106.32 5.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.66 88.7 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.41 143.52 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.884 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -134.79 152.31 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.37 121.05 18.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.06 -45.87 5.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 mmt -53.8 -40.8 66.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.98 94.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.6 HG21 HD13 ' A' ' 103' ' ' ILE . 2.2 p -79.9 154.31 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -42.68 -28.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.709 HD11 HG23 ' A' ' 99' ' ' THR . 2.3 tp -39.93 -50.1 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.31 10.77 63.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -103.56 154.96 37.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.04 39.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.27 164.58 18.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.605 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 10.2 mt -100.79 155.35 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 22.6 m-85 -148.86 151.19 34.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 24.0 mt -66.28 117.66 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.884 ' OE1' HD13 ' A' ' 26' ' ' ILE . 1.5 tt0 -99.52 -32.72 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.02 167.9 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -144.96 106.48 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.788 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -56.93 152.29 28.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.788 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 -75.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.17 57.73 0.83 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.3 p -131.46 168.91 15.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' HD12 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.02 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.96 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -55.91 -61.09 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -53.78 -42.15 67.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.0 -48.39 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.13 -53.49 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 103.48 -54.47 0.68 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -38.91 -55.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 0.766 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.967 ' CD1' HG11 ' A' ' 12' ' ' VAL . 2.5 mp -40.3 119.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -125.17 158.56 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.55 125.17 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.74 -1.06 36.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 3.5 m-20 -57.56 174.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' HD21 ' A' ' 62' ' ' LEU . 31.7 ttt180 -140.46 124.11 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.9 mm -84.93 133.52 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 93' ' ' ALA . 59.7 mt -111.17 -32.65 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -148.37 147.94 29.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.023 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -131.12 111.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 64.88 12.13 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 29.93 8.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.45 108.15 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 p -48.91 112.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -92.71 52.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -100.64 132.24 46.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.54 22.98 2.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.783 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.1 mt -86.19 126.05 33.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.37 139.4 41.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.964 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.1 t80 -40.48 -40.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -56.49 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.83 -47.41 31.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.41 -39.35 87.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 74' ' ' TYR . 81.6 t -68.18 -46.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 29.3 t0 -62.33 -26.08 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.57 -57.62 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.023 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -69.77 -37.0 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HE ' ' CE1' ' A' ' 83' ' ' HIS . 14.3 ttt180 -54.19 -54.11 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' CE1' ' HE ' ' A' ' 82' ' ' ARG . 17.5 m170 -91.49 35.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.68 -143.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.12 -179.88 28.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.33 -37.04 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -117.12 111.78 19.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 1.3 mtp -97.91 121.38 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 64.1 mtm180 -108.33 134.64 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.751 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.4 m-85 -135.27 130.59 35.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.1 88.93 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 21.5 t -89.45 150.69 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -120.8 152.2 38.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 100.67 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.0 m -82.99 -175.51 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.54 166.0 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 ' N ' ' A' ' 98' ' ' GLU . 11.4 p -61.56 -57.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.582 ' N ' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -40.4 -54.95 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 m -47.97 -42.99 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -68.87 -46.12 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -43.84 -47.11 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.7 mttt -67.7 -36.11 80.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 31' ' ' THR . 15.0 mm -62.53 -33.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -65.81 147.74 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.643 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -20.52 39.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.31 96.88 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t 43.23 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 p -104.75 108.73 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -104.53 -63.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -174.83 97.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.87 155.57 7.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -152.68 170.4 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.85 145.57 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.72 -167.94 11.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 7.7 p90 -138.0 148.76 45.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 10' ' ' PHE . 33.2 t -96.33 162.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.5 p90 -152.18 137.94 17.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.9 m -82.0 155.81 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.162 HG11 HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -136.61 111.09 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.27 102.74 13.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.5 156.63 18.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ARG . 22.1 tt0 -108.58 109.43 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -38.6 106.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.48 -173.95 27.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.43 15.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -110.37 -23.44 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.52 53.94 0.8 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 76.32 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.73 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 162.9 60.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.575 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -126.78 101.59 6.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.75 65.8 1.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.575 HD21 ' SD ' ' A' ' 23' ' ' MET . 15.4 mt -71.98 141.17 49.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.8 tt -135.72 152.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -70.3 124.43 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.61 -40.39 17.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -61.4 -19.3 61.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -35.48 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.511 HG21 HD13 ' A' ' 103' ' ' ILE . 2.9 p -82.94 155.39 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.7 -32.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -40.98 -33.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.97 20.79 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.865 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.17 152.01 42.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.08 30.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.16 14.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 21.2 mt -99.77 153.13 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 32.3 m-85 -148.52 154.07 39.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 59' ' ' ASP . 18.0 mt -73.55 134.55 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 26' ' ' ILE . 3.1 tt0 -117.64 -38.57 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -145.03 171.2 14.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 55' ' ' LEU . 13.7 mt -144.76 104.2 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.1 mp -49.29 156.11 1.1 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -64.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.45 51.23 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.7 p -127.24 161.35 54.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -42.31 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.865 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -53.17 -28.97 28.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.17 -40.3 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -45.68 68.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.501 ' HB2' HD11 ' A' ' 14' ' ' LEU . 16.8 t0 -48.42 -59.86 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.88 -3.8 49.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 7.7 tpp180 -89.85 -61.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.162 HD13 HG11 ' A' ' 12' ' ' VAL . 1.2 mp -39.4 108.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -105.88 161.08 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.3 mt -73.46 131.38 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -23.3 36.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 40' ' ' ILE . 61.2 m-20 -41.12 160.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -126.33 118.59 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 25' ' ' LEU . 6.5 mm -76.06 148.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' LEU . 54.6 mt -123.99 -43.9 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.63 160.89 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.942 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -141.29 112.84 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.0 18.87 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.46 31.8 21.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 106.74 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.2 p -42.2 127.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 80' ' ' LEU . 7.3 mt -110.12 37.83 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.38 101.32 12.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.4 -38.11 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -53.02 127.25 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -164.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -89.34 -38.2 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' HA ' HG12 ' A' ' 78' ' ' VAL . 8.0 mt -73.23 -23.16 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.506 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.2 mmt-85 -85.2 -38.4 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -72.53 -43.52 63.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 79' ' ' ASP . 8.8 p -59.69 -48.25 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -53.16 -50.15 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.552 HD12 HD21 ' A' ' 69' ' ' LEU . 15.2 mt -43.64 -60.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -58.61 -47.6 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -48.9 -54.49 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' CE1' ' OD2' ' A' ' 79' ' ' ASP . 40.3 m80 -91.73 35.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.53 -135.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.25 171.36 37.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -40.28 -38.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -113.67 116.69 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.596 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.85 120.27 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 144.86 37.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.736 ' HD1' HG22 ' A' ' 64' ' ' VAL . 45.9 m-85 -145.17 130.81 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.7 tp -97.62 91.66 5.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.661 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -104.64 148.34 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.39 142.99 39.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 101.49 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.1 174.91 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -83.7 179.29 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 t -72.16 -41.98 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.31 -55.79 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -43.87 -39.55 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.07 64.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.68 -52.18 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 HG21 ' A' ' 31' ' ' THR . 2.9 mm -62.93 -31.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 2.4 p80 -149.91 110.98 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.5 m 48.57 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -114.26 151.09 18.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.4 11.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 112.12 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -107.32 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 140.51 46.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 132.26 51.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.87 94.34 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -129.09 98.86 5.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.63 47.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.89 161.68 15.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 3.4 p90 -120.41 157.66 28.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 92' ' ' VAL . 19.5 t -101.87 161.08 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 48.7 p90 -148.73 136.6 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -81.51 153.03 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.04 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -131.02 110.81 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 21.0 mt-10 -102.34 109.84 21.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -122.15 170.01 10.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 11.4 tt0 -119.55 138.56 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 108.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.51 -171.07 17.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.8 21.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -106.08 -15.67 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.88 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.771 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.05 -139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 168.62 73.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.56 123.14 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.67 82.82 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -75.31 154.93 37.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.3 tt -149.63 149.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.03 123.28 22.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.26 -23.54 1.9 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -31.44 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -34.79 57.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.7 p -81.99 151.97 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -41.89 -29.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.644 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.9 tp -40.88 -43.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.48 60.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -120.39 154.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.68 22.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.61 155.75 8.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 26' ' ' ILE . 13.9 mt -94.25 142.42 27.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 63.8 m-85 -141.7 138.65 32.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mt -54.02 135.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 57' ' ' LEU . 12.5 tt0 -116.78 -39.84 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.37 167.32 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.2 mt -144.91 102.71 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.82 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -46.34 152.99 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -65.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.28 49.86 4.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.5 p -123.49 161.2 47.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.473 ' C ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 -37.23 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.56 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.81 -43.0 14.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.64 -37.68 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.6 t70 -55.15 -60.47 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.64 -53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.32 -62.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.04 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.66 112.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.9 m -118.1 167.42 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 41' ' ' GLN . 12.0 mt -76.71 125.8 29.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.69 -12.83 46.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' A' ' 92' ' ' VAL . 30.8 m-20 -59.81 137.66 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 13.2 ttt180 -99.83 137.01 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.428 HD13 ' HB ' ' A' ' 92' ' ' VAL . 7.0 mm -91.67 154.45 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 61.5 mt -124.77 -44.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -136.89 152.03 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.095 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -132.23 105.86 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.1 m120 63.5 19.28 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.08 43.75 4.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 112.67 11.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 0.77 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -56.58 112.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -92.45 54.47 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.2 mt -97.02 119.72 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.13 26.35 6.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.914 ' HB2' HD23 ' A' ' 69' ' ' LEU . 5.6 mt -79.74 129.98 34.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -56.42 142.1 40.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' O ' HG12 ' A' ' 78' ' ' VAL . 68.7 t80 -50.12 -28.25 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HA ' HG12 ' A' ' 78' ' ' VAL . 16.5 mt -79.16 -31.15 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.5 mmt-85 -72.99 -43.43 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.978 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.94 -54.04 15.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 75' ' ' LEU . 6.4 p -53.36 -39.93 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 5.9 t70 -61.12 -39.31 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.52 -56.49 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.095 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -67.07 -22.14 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 7.4 ttt180 -77.21 -52.29 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -90.32 35.79 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.31 -141.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.56 -166.87 18.5 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -51.13 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -116.52 165.46 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.771 ' HG3' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -138.81 121.53 16.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 4.3 mtm180 -107.45 138.43 43.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 42.6 m-85 -136.87 140.47 42.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.4 tp -107.78 90.61 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.68 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.03 154.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.96 175.47 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -83.19 100.21 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.24 177.3 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -121.09 179.93 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.588 HG12 ' HD2' ' A' ' 101' ' ' LYS . 82.4 t -72.06 -54.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -44.05 -49.55 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -48.2 -51.32 25.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -62.8 -45.62 91.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.588 ' HD2' HG12 ' A' ' 97' ' ' VAL . 2.7 mttp -44.98 -36.72 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 33' ' ' LEU . 22.5 mttt -77.1 -38.53 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.1 mm -64.32 -30.55 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -69.01 141.41 54.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t 69.2 152.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.19 89.53 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.13 34.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.39 97.31 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 129.83 43.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -89.71 -57.56 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -171.34 -57.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.27 -172.14 45.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.45 -48.1 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -62.4 163.25 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.72 129.22 1.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.453 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 11.7 p90 -119.79 145.68 46.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.8 t -101.4 161.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 43.1 p90 -144.79 137.51 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 m -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.063 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.23 111.56 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -104.74 111.44 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 48' ' ' PRO . 1.4 mt -123.42 171.57 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 15.7 tt0 -120.21 150.19 41.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.99 126.89 31.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.35 -175.45 32.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -111.14 -22.78 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.8 55.13 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.732 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.6 OUTLIER 72.88 -141.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.546 ' O ' HD23 ' A' ' 43' ' ' LEU . . . 176.56 60.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.4 122.13 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.15 0.73 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -77.55 143.78 38.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tt -135.99 148.98 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' HIS . 35.9 t0 -65.74 117.85 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.98 -26.67 0.88 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -40.4 60.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.7 m170 -55.0 -38.4 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.449 HG21 HD13 ' A' ' 103' ' ' ILE . 21.9 p -80.44 156.21 26.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.73 -25.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.831 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -46.82 -35.48 6.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 20.12 7.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.127 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.831 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -106.85 152.48 40.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.01 40.67 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 163.27 22.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 7.1 m-85 -129.4 158.3 39.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.5 mt -71.66 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' O ' HD13 ' A' ' 57' ' ' LEU . 2.6 tt0 -113.84 -39.19 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.93 171.12 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 22' ' ' GLY . 8.4 mt -144.46 98.91 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 45' ' ' PRO . 1.1 tt -43.2 140.45 2.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 146.75 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.86 10.3 38.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.459 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -84.93 170.58 13.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.92 -34.95 3.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -64.47 -28.42 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -40.95 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.0 t70 -62.8 -60.26 3.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.07 -60.51 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -41.44 -62.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.063 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.99 114.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -125.24 164.04 21.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.3 mt -72.81 129.51 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.3 -18.9 35.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 64.3 m-20 -50.5 156.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 6.7 ttt85 -123.49 118.85 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.529 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.4 mm -75.0 150.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 60' ' ' ARG . 64.4 mt -123.19 -44.18 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -134.97 161.58 34.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.993 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -139.04 106.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 62.66 26.35 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.04 41.6 8.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.79 114.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.81 116.56 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 ' HB1' ' A' ' 77' ' ' ALA . 5.7 tp -105.36 60.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.01 -77.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.98 41.96 3.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 69' ' ' LEU . 22.1 mt -115.13 131.53 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.42 -163.03 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -90.99 -25.72 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 75' ' ' LEU . 14.7 mt -82.25 -27.66 32.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.2 mmt-85 -80.81 -39.29 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.988 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -70.61 -49.03 52.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 79' ' ' ASP . 9.9 p -54.08 -50.91 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.9 t70 -50.93 -47.39 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.53 -50.41 65.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.993 HD11 HG21 ' A' ' 64' ' ' VAL . 1.9 mp -67.22 -27.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -53.56 10.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OD2' ' A' ' 79' ' ' ASP . 40.8 m80 -92.54 36.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -50.54 -103.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 163.02 76.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 66.39 -73.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -93.16 152.59 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 21' ' ' LEU . 41.3 mmm -120.87 119.98 34.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 131.96 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.735 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.2 m-85 -131.68 141.22 49.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.5 tp -105.02 88.66 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.56 147.12 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.61 -179.94 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 98.22 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -171.65 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.4 175.52 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.53 -44.41 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -48.18 -56.7 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -45.96 -46.32 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -57.32 -49.71 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -41.63 -55.0 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.5 mttt -59.22 -38.62 80.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 31' ' ' THR . 1.4 mm -66.06 -22.84 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.57 163.78 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -118.38 128.52 54.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.96 152.71 22.83 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 101.09 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.4 p -50.14 -58.56 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.2 134.32 51.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.39 132.58 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -149.6 116.09 5.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.89 -167.92 24.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -139.96 -55.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 110.058 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 39.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.33 -164.9 12.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -107.74 163.77 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 10' ' ' PHE . 39.1 t -112.23 165.01 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 38.8 p90 -148.09 138.19 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.5 m -84.21 156.03 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -137.64 112.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -106.96 107.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -120.11 172.55 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 17' ' ' GLY . 15.0 tt0 -119.59 122.24 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -38.8 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . . . -71.19 -175.45 21.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.42 17.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -105.66 -15.03 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.586 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 96.23 34.13 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 88.65 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.85 56.77 10.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -124.43 101.98 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.975 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.29 75.32 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.3 mt -81.86 132.12 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.443 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.3 tt -132.41 160.92 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.6 OUTLIER -74.05 117.2 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -40.5 -28.15 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.1 mmt -72.27 -50.16 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -52.28 -42.55 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.549 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HG23 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -79.71 156.62 27.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.2 m170 -51.33 -20.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.956 HD12 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -37.69 -60.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.08 88.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.956 ' HB3' HD12 ' A' ' 33' ' ' LEU . . . -98.9 147.13 32.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.39 31.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.92 -176.69 20.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 5.0 mt -105.99 152.56 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -144.32 155.79 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.541 HD11 ' HG ' ' A' ' 55' ' ' LEU . 18.4 mt -70.46 112.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.8 tt0 -90.06 -37.79 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.98 170.72 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 31.3 mt -143.61 102.32 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 150.09 13.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.46 41.33 3.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 6.3 p -127.68 164.46 36.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.6 Cg_endo -74.94 -44.97 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.5 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -39.77 -52.8 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.83 -54.49 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.49 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 20.2 t70 -46.65 -60.4 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.74 -64.12 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.35 -60.35 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 12' ' ' VAL . 2.3 mp -40.53 114.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.9 m -124.23 164.73 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.59 140.17 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.76 -23.93 28.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -40.7 154.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 32.9 ttt180 -122.48 120.25 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.1 mm -78.7 150.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' LEU . 70.2 mt -123.66 -44.1 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -132.38 161.13 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.066 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.52 105.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.74 24.33 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.71 24.51 58.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 118.97 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -55.18 117.87 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.915 HD11 ' HB1' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -107.23 59.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -103.16 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.37 35.92 4.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.885 ' HB2' HD23 ' A' ' 69' ' ' LEU . 13.1 mt -104.35 133.91 48.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.94 157.91 53.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' HG12 ' A' ' 78' ' ' VAL . 27.3 t80 -58.03 -30.85 66.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 75' ' ' LEU . 15.1 mt -78.54 -25.0 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HD2' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -80.91 -41.19 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -67.15 -50.59 60.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 79' ' ' ASP . 14.6 p -52.33 -54.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.539 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -52.27 -53.54 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.8 mt -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.066 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -65.31 -41.77 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -55.81 -54.99 37.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' GLY . 35.0 m80 -92.68 35.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -38.63 -92.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.72 55.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 15.7 mmtt 68.58 -63.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' GLY . 12.8 mtmt -94.65 110.23 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -104.25 120.63 41.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -113.04 135.5 53.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.762 ' HD1' HG22 ' A' ' 64' ' ' VAL . 35.5 m-85 -133.19 135.36 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 27.2 tp -102.18 89.37 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.66 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -103.46 146.63 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.05 176.83 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 108.53 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.56 -178.05 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.21 178.28 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.53 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.74 -46.91 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.7 HG23 HD21 ' A' ' 33' ' ' LEU . 2.6 m -47.58 -45.28 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -60.87 -56.27 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -39.4 -64.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -42.31 -48.75 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.951 HG12 HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.0 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.574 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 23.7 m170 -59.38 168.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -91.95 109.21 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -85.94 166.96 39.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.47 27.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -114.38 123.69 50.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.8 m -60.69 97.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 54.35 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 109.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.6 149.12 35.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.39 -169.38 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -106.91 -59.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.57 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.49 85.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 46.6 p90 -116.23 171.56 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.712 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.56 164.63 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 47.3 p90 -146.25 142.53 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.4 m -89.07 153.93 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -129.41 112.26 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 119.82 37.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 52' ' ' ASP . 3.4 mt -134.48 166.62 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -117.46 113.51 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 106.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.7 -175.33 23.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.62 18.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -90.01 -21.98 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.28 49.81 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.7 OUTLIER 74.79 -140.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 171.26 65.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.581 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.61 127.32 23.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 111.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.89 87.45 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -79.66 134.73 36.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.2 tt -121.08 154.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 37.1 t0 -70.75 117.38 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.19 -31.47 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -35.94 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.0 m170 -62.98 -37.48 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 103' ' ' ILE . 7.6 p -80.16 155.15 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -26.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tp -47.75 -38.53 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.0 30.11 45.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -119.79 153.49 54.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 167.55 13.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.2 mm? -107.59 130.12 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 12.3 m-85 -126.64 149.49 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.512 HD11 HD22 ' A' ' 55' ' ' LEU . 21.0 mt -68.13 122.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 4.4 tp-100 -107.13 -29.29 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -151.61 169.82 21.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 57' ' ' LEU . 4.7 mt -143.89 123.99 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -67.81 159.67 77.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -83.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.17 58.67 0.58 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.464 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 5.2 p -129.54 165.32 33.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.95 -36.12 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -63.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.15 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -57.97 -43.36 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.6 t70 -51.12 -55.82 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.86 -61.68 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.93 -56.3 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.581 HD13 ' SD ' ' A' ' 23' ' ' MET . 20.1 mt -39.94 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -114.88 159.15 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 43' ' ' LEU . 7.8 mt -68.6 131.46 45.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.76 -20.78 33.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' HB3' HG13 ' A' ' 92' ' ' VAL . 47.8 m-20 -45.77 163.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 21.6 ttt180 -133.44 126.28 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 92' ' ' VAL . 16.2 mm -81.87 137.1 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 93' ' ' ALA . 76.5 mt -112.85 -32.63 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -150.37 150.11 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -129.35 107.33 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 61.86 14.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 41.45 3.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.482 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -125.74 101.75 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.009 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -42.64 116.41 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.92 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -111.38 61.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -90.8 -82.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.26 35.67 4.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.777 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.0 mt -99.92 119.99 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.8 -176.99 5.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' HA ' HD21 ' A' ' 38' ' ' LEU . 4.8 t80 -65.37 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 6.1 mp -46.51 -29.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -75.21 -49.94 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.37 -56.36 7.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 4.3 p -40.07 -41.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.77 -51.72 67.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 67' ' ' SER . 96.7 mt -41.71 -57.65 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -61.92 -50.38 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -43.74 -56.06 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -92.24 35.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.71 -146.53 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.46 166.66 26.06 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.4 -36.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -108.71 109.03 20.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.763 ' HG3' HD21 ' A' ' 21' ' ' LEU . 77.9 mmm -90.5 119.39 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -114.85 128.93 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.754 ' HD1' HG22 ' A' ' 64' ' ' VAL . 28.0 m-85 -129.69 133.63 47.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.712 HD11 ' CG2' ' A' ' 9' ' ' VAL . 10.1 tp -94.2 89.28 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 59' ' ' ASP . 20.6 t -89.57 132.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -98.66 134.12 42.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -65.3 96.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -94.34 159.68 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.53 167.19 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.1 t -58.16 -39.44 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -49.1 -51.25 32.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -49.94 -33.03 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.93 -41.39 29.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -46.71 -50.05 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 6.0 mttt -64.72 -33.57 76.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 31' ' ' THR . 4.9 mm -66.84 -33.68 65.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -71.94 135.18 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -116.28 129.05 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.25 146.08 18.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -129.28 -64.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 t -55.35 141.22 36.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.108 . . . . 0.0 110.989 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.06 110.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -115.96 153.22 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.61 -81.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.76 126.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.93 157.03 43.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.88 178.17 31.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -126.61 169.39 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.67 163.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.62 ' CE2' HG22 ' A' ' 92' ' ' VAL . 51.8 p90 -147.12 151.23 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 m -90.53 156.68 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.038 HG11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -140.8 115.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.33 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD21 HG12 ' A' ' 12' ' ' VAL . 3.1 mm? -107.36 157.89 17.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 16.7 tt0 -110.43 108.36 18.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -39.6 112.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.75 -168.84 45.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.24 21.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -115.68 -13.24 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 125.7 -118.11 3.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -138.87 13.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 36.98 64.95 0.61 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.404 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -137.36 101.13 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 0.721 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -78.45 73.84 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD22 HG12 ' A' ' 40' ' ' ILE . 9.5 mt -78.41 130.68 36.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -126.72 153.16 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' MET . 57.4 t0 -74.14 124.41 26.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.83 -27.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -66.77 -48.07 70.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.9 m-70 -51.9 -40.4 60.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.901 HG21 HD13 ' A' ' 103' ' ' ILE . 14.6 p -79.88 -179.09 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.7 -18.27 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tp -49.13 -24.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.73 31.29 1.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.56 152.19 78.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.16 43.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.7 162.38 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.4 mm? -97.51 142.04 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.5 m-85 -144.57 138.68 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 8.0 mt -58.66 133.61 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HB2' HG22 ' A' ' 26' ' ' ILE . 2.8 tt0 -116.48 -38.3 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.65 167.23 23.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -144.59 125.98 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -75.07 156.12 86.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.791 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.99 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.43 43.88 3.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.502 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 51.5 p -118.89 161.86 34.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.05 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -51.32 -31.93 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -48.72 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.17 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' LEU . 13.0 t70 -56.85 -49.74 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.67 -54.35 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.32 -56.74 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.05 HD23 ' HB1' ' A' ' 49' ' ' ALA . 1.6 mp -42.53 111.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -115.68 164.82 13.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.36 130.42 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.62 -22.83 31.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 4.7 m-20 -45.63 159.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.1 ttt180 -124.96 123.09 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 62' ' ' LEU . 19.7 mm -75.1 153.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 93' ' ' ALA . 44.1 mt -128.38 -44.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 79.3 mt-10 -131.87 161.68 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.009 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.17 103.56 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.15 12.37 7.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' HA2' ' NH1' ' A' ' 89' ' ' ARG . . . 99.37 23.32 11.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.803 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -59.42 118.92 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -106.78 60.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.1 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.03 23.82 18.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 HD22 ' A' ' 69' ' ' LEU . 9.4 mt -89.41 126.77 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.04 156.31 41.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' O ' HG12 ' A' ' 78' ' ' VAL . 8.9 t80 -54.1 -45.61 71.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 78' ' ' VAL . 4.7 mt -65.3 -26.68 68.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.5 mmt-85 -78.33 -45.13 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.95 -47.76 70.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -59.66 -44.64 93.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' CG ' ' CE1' ' A' ' 83' ' ' HIS . 3.6 t0 -56.47 -48.18 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.14 -54.4 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.009 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -64.14 -42.05 94.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -54.89 -57.95 9.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 79' ' ' ASP . 4.9 m80 -91.52 35.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.39 -140.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.9 173.37 32.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 13.7 mmmt -44.37 -37.39 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 114.97 28.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -115.47 120.05 38.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.7 ttm180 -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.75 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.0 m-85 -138.73 137.93 37.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.1 tp -103.4 91.45 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.62 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -100.56 135.59 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -90.93 145.73 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 95.94 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.05 -176.92 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -100.86 169.99 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ALA . 27.5 m -56.18 -48.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 97' ' ' VAL . 14.5 mt-10 -40.56 -55.84 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.46 -38.67 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -76.4 -37.71 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -48.33 -43.46 33.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -63.12 -34.5 77.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 31' ' ' THR . 1.3 mm -75.4 -21.7 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.51 160.78 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.6 p -113.56 98.08 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.91 91.38 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 137.76 22.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.6 t -61.96 110.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -78.38 105.98 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.87 133.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -162.94 121.78 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.94 -126.84 1.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.46 -62.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.31 97.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.5 -165.38 32.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 p90 -130.66 151.47 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.3 t -100.12 160.18 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 92' ' ' VAL . 29.6 p90 -146.82 139.0 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 161.31 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -143.35 112.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -104.79 102.8 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.603 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.25 165.95 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' ARG . 17.5 tt0 -116.43 106.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.48 107.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.92 -168.89 43.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -7.92 19.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -107.25 -11.2 15.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 48.54 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.8 OUTLIER 80.14 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 163.47 86.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.462 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -148.78 101.4 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.88 64.13 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 61' ' ' ILE . 9.0 mt -73.0 131.6 42.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.528 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.9 tt -132.5 163.63 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.5 t70 -78.77 118.03 20.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -40.58 -27.82 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -70.49 -44.3 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.938 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.6 m170 -61.39 -40.09 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.594 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.644 HG21 HG23 ' A' ' 103' ' ' ILE . 1.7 p -78.94 152.77 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -39.69 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.954 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -41.52 -62.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 83.33 -10.32 59.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.954 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -82.62 149.62 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 122.62 158.58 10.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.02 137.8 31.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 37' ' ' GLY . 74.5 m-85 -138.93 152.0 47.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.642 HD11 HD22 ' A' ' 55' ' ' LEU . 5.0 mt -72.68 131.72 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.9 OUTLIER -111.41 -38.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.65 150.74 33.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CA ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -116.57 102.14 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -43.38 155.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -78.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 56.74 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.492 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 4.0 p -129.8 160.21 66.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.03 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -54.53 -54.36 42.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.791 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -56.72 -60.21 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.77 -36.53 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD2' HG13 ' A' ' 12' ' ' VAL . 1.8 t70 -46.42 -33.31 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.42 -53.96 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -47.93 63.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.642 HD22 HD11 ' A' ' 40' ' ' ILE . 35.2 mt -55.45 104.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -104.51 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 43' ' ' LEU . 11.4 mt -78.09 127.96 33.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.8 -18.41 40.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -48.33 158.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 37.0 ttt180 -123.1 128.59 50.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.556 ' O ' HD23 ' A' ' 62' ' ' LEU . 10.0 mm -80.79 154.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 61' ' ' ILE . 29.7 mt -127.92 -46.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -132.51 160.8 35.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 81' ' ' ILE . 1.7 t -141.27 104.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 62.07 29.14 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 42.31 9.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.17 104.21 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -49.16 115.87 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -94.09 39.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -100.62 102.19 13.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.88 -17.46 54.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 80' ' ' LEU . 11.3 mt -66.6 117.46 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' TYR . . . -59.43 145.93 44.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.3 t80 -37.63 -48.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.48 -57.25 13.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 72' ' ' LEU . 11.8 mmt180 -52.64 -41.11 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.19 -42.84 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 74' ' ' TYR . 64.2 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 45.5 t0 -58.03 -35.83 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -62.44 -56.17 20.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -69.66 -7.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 32.0 ttt180 -88.38 -50.69 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -93.15 28.57 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.56 -140.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.08 -162.34 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -71.35 -28.39 64.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.08 108.39 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 21' ' ' LEU . 64.7 mmm -94.56 118.78 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -110.29 130.32 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' HD1' HG22 ' A' ' 64' ' ' VAL . 41.3 m-85 -129.28 131.83 47.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.5 tp -101.34 89.75 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.81 157.08 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -114.37 145.18 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 95.68 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.5 p -79.08 173.89 12.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.56 172.49 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.9 m -62.83 -49.38 83.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' N ' HG23 ' A' ' 97' ' ' VAL . 2.1 mt-10 -43.81 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -65.78 -51.36 59.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 104' ' ' HIS . 56.6 mttt -44.42 -47.99 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.86 -38.75 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 31' ' ' THR . 2.0 mm -72.27 -33.49 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' LYS . 9.7 m170 -76.47 -70.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -171.58 93.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -39.76 126.09 2.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.56 42.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 t -90.73 86.07 6.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.76 144.9 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -136.54 132.01 34.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -56.12 165.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.75 173.6 33.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.32 134.5 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.08 134.78 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.16 177.99 28.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 32.6 p90 -134.59 167.26 21.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.743 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.51 164.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CE1' HG22 ' A' ' 92' ' ' VAL . 32.5 p90 -147.81 147.3 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.4 m -87.76 154.98 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.98 114.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.34 104.75 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -115.8 170.72 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' ARG . 15.1 tt0 -119.28 115.97 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -37.67 123.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.96 -174.93 27.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.18 9.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -108.36 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.6 47.34 4.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mt 80.76 -52.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.7 52.6 9.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.721 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -115.62 101.96 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.02 68.89 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.721 HD21 ' SD ' ' A' ' 23' ' ' MET . 20.8 mt -76.44 132.97 39.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HD13 ' A' ' 38' ' ' LEU . 3.6 tt -128.34 159.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.31 131.7 40.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -59.36 -15.74 32.5 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.91 -41.32 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -67.08 -34.68 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -80.01 154.08 28.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -40.71 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 2.2 tp -40.44 -48.39 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 65.08 9.78 43.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.42 154.24 40.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.17 29.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 171.92 15.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.3 mm? -103.04 149.45 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CE2' ' CD2' ' A' ' 33' ' ' LEU . 6.9 m-85 -141.86 145.45 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 29.3 mt -66.3 122.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.5 tt0 -101.96 -37.15 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -147.9 178.07 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 49' ' ' ALA . 72.4 mt -144.49 101.74 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -45.38 142.22 3.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.05 152.99 41.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.01 19.4 7.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.17 171.24 6.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.043 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.526 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.0 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' HD22 ' A' ' 43' ' ' LEU . . . -63.44 -16.0 59.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.42 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HD21 ' A' ' 14' ' ' LEU . 7.9 t70 -52.29 -59.5 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.58 -60.7 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.22 -60.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 12' ' ' VAL . 1.5 mp -40.13 110.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.57 157.86 21.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.58 131.32 45.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.2 -24.87 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 92' ' ' VAL . 83.0 m-20 -42.02 150.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 19.0 ttt180 -120.48 118.83 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.3 mm -74.92 147.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 93' ' ' ALA . 55.6 mt -122.46 -42.68 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -132.53 156.37 46.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -139.99 111.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.36 18.99 9.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.94 44.83 4.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.96 121.68 9.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.872 HD11 ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -105.01 60.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' LEU . 94.7 mt -98.42 133.68 42.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.0 29.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.7 mt -91.45 120.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.88 -176.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.651 ' CE1' HG21 ' A' ' 78' ' ' VAL . 46.5 t80 -68.33 -66.17 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD12 ' HD1' ' A' ' 74' ' ' TYR . 10.0 mp -45.51 -44.32 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.489 ' HB3' HD22 ' A' ' 72' ' ' LEU . 17.4 mmt180 -53.85 -48.68 69.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.872 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -70.34 -34.34 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 74' ' ' TYR . 61.4 t -67.08 -40.34 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.36 -29.05 70.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 77' ' ' ALA . 87.3 mt -66.86 -56.62 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.029 HD11 HG21 ' A' ' 64' ' ' VAL . 3.2 mp -71.56 -13.4 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -71.5 -47.15 57.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -91.52 33.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . -126.68 104.31 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.73 164.48 21.11 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.33 -77.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 119.88 40.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -126.42 119.96 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -105.28 144.03 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.76 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.9 m-85 -142.51 135.6 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.743 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.3 tp -106.16 93.4 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.653 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.92 129.39 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -83.61 148.28 27.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -79.18 100.31 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.81 167.83 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -85.76 179.64 7.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.05 -40.24 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -45.37 -42.96 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -58.13 -44.51 87.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.01 86.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -47.92 -46.24 31.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -66.55 -32.74 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.72 -33.98 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.67 170.64 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -152.54 94.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.59 121.71 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.99 11.96 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.9 m -98.75 157.23 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.09 125.7 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.24 149.9 14.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -150.77 152.91 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.39 143.05 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -145.54 90.34 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.99 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -144.63 165.32 28.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 130.5 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 10.5 p90 -139.22 143.95 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.9 t -99.38 164.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CE1' HG22 ' A' ' 92' ' ' VAL . 35.1 p90 -149.3 141.97 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 m -90.83 153.18 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.96 118.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -109.14 103.27 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 55' ' ' LEU . 3.2 mm? -105.92 159.85 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -113.08 112.13 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -38.81 114.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.65 -165.67 41.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.45 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -113.18 -20.2 11.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 136.07 -107.57 0.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.7 OUTLIER -141.2 14.78 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 38.27 55.53 1.98 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.445 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.93 119.7 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.44 85.04 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -85.88 120.66 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.5 tt -124.59 160.02 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -78.8 157.78 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -84.1 23.83 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.35 -52.12 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 1.062 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -72.56 -31.91 65.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.595 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.062 HG23 ' CD2' ' A' ' 30' ' ' HIS . 7.8 p -79.53 148.69 31.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -40.77 -29.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 3.7 tp -38.63 -34.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.35 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -127.38 152.05 75.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.85 18.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 140.64 155.51 6.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD13 HD21 ' A' ' 69' ' ' LEU . 2.0 mp -93.8 155.31 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 61.1 m-85 -159.28 147.79 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 43' ' ' LEU . 15.3 mt -64.42 116.9 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.642 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -101.74 -35.39 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.27 159.91 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 40' ' ' ILE . 7.4 mt -145.65 116.84 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -65.25 151.63 93.52 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.848 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.01 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.22 52.03 4.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.516 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -129.99 171.29 9.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.988 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.73 -55.28 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -56.46 -44.19 80.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -51.98 -32.49 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -45.54 76.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -48.82 3.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.57 -55.67 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD13 ' HB1' ' A' ' 49' ' ' ALA . 6.7 mt -48.77 115.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 m -121.89 160.16 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 41' ' ' GLN . 6.5 mt -70.67 125.08 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.9 -6.53 31.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 21.1 m-20 -62.84 167.71 4.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.2 ttt180 -131.37 123.95 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.508 HD13 ' HB ' ' A' ' 92' ' ' VAL . 4.4 mm -81.21 146.92 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 91' ' ' LEU . 35.0 mt -120.69 -44.22 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -133.5 161.8 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.013 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -142.37 110.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.37 14.31 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.88 36.72 6.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.96 113.68 17.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 p -45.25 118.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 38' ' ' LEU . 1.2 tp -113.24 61.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.81 -84.08 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.6 41.58 3.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 76' ' ' ARG . 13.4 mt -103.9 130.27 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -65.38 150.34 51.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -52.58 -20.72 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 75' ' ' LEU . 12.2 mt -86.22 -24.97 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -84.55 -39.29 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -71.04 -44.16 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 79' ' ' ASP . 7.7 p -59.06 -47.9 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.6 t70 -55.83 -45.21 78.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.0 mt -49.63 -60.28 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.013 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -64.1 -48.98 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -48.78 -54.91 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -90.97 35.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.98 -142.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.43 178.87 33.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -38.06 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.7 113.68 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -112.55 120.41 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.05 147.46 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.767 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.6 m-85 -144.06 127.99 17.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 23.6 tp -98.23 88.73 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.606 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -102.75 156.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.45 156.88 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 96.7 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.33 169.43 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -179.96 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -74.34 -46.57 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.09 -47.96 11.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -51.98 -53.55 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -53.37 -53.84 45.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -40.13 -55.81 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 8.0 mttt -54.13 -42.93 70.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.6 mm -64.92 -40.12 87.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.58 138.29 55.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -68.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.16 85.77 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.43 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 -57.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.6 m -75.53 146.0 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.85 -57.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.6 139.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.39 166.67 24.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -173.61 154.63 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.2 131.02 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.67 153.77 20.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.8 t -92.82 155.75 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 37.6 p90 -149.77 137.82 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 89' ' ' ARG . 72.9 m -85.7 155.64 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.81 112.39 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -102.91 117.17 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -128.97 177.58 7.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 12.9 tt0 -115.24 111.46 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -38.71 114.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.01 -171.95 25.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.55 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -121.48 28.23 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 72.91 42.94 43.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER 82.01 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' LEU . . . 130.02 67.06 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.487 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -135.96 130.57 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -97.69 84.62 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.75 137.88 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.4 tt -143.71 147.55 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.1 p30 -75.57 156.99 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.73 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -81.53 40.86 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mmt -103.85 -51.34 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 1.025 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -79.53 -28.05 41.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.605 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.025 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.5 p -79.14 156.34 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -49.42 -22.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.651 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.73 HD23 ' HA3' ' A' ' 28' ' ' GLY . 7.4 tp -38.28 -55.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.77 23.69 76.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -138.08 143.37 39.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.98 138.35 22.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 38' ' ' LEU . . . 159.34 -157.32 28.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 2.6 mm? -132.51 143.59 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.715 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 6.6 m-85 -160.66 145.89 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.732 HG21 ' CD2' ' A' ' 43' ' ' LEU . 16.3 mt -68.24 135.55 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.787 ' HB2' HG22 ' A' ' 26' ' ' ILE . 5.5 tt0 -109.6 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -152.62 152.23 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.732 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -121.19 91.68 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.603 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -40.09 149.88 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.39 52.22 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.5 p -129.52 158.24 73.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.602 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.89 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.656 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -60.95 -49.38 77.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.34 -38.26 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.1 t70 -47.58 -51.67 20.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.97 -44.12 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -62.27 -43.96 97.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.774 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG21 ' A' ' 92' ' ' VAL . 33.9 mt -56.1 103.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -101.79 165.41 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 43' ' ' LEU . 10.9 mt -79.4 125.21 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ASP . . . 107.07 -12.95 40.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 6.7 m-20 -46.52 172.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -133.38 117.18 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.02 136.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.889 HD11 ' HB2' ' A' ' 93' ' ' ALA . 53.5 mt -112.74 -34.91 5.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 14.3 mt-10 -145.23 160.47 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 81' ' ' ILE . 2.4 t -142.43 108.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER 75.66 -56.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.77 39.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 80' ' ' LEU . 2.7 t -133.46 110.99 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -56.5 121.24 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -98.37 47.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 mt -100.87 71.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.66 -17.97 10.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.6 mt -55.47 118.16 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -49.2 137.75 18.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.945 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.9 t80 -37.9 -51.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.75 -49.47 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CD ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.95 -51.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -58.75 -49.22 78.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 74' ' ' TYR . 58.5 t -47.27 -41.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' LEU . 16.7 t70 -57.91 -55.9 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 67' ' ' SER . 0.8 OUTLIER -38.96 -65.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 64' ' ' VAL . 3.0 mp -58.55 -53.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 83' ' ' HIS . 14.7 ttt180 -44.32 -56.0 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 84' ' ' GLY . 7.6 m-70 -95.17 36.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -59.68 -144.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.68 34.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 22.9 mttt -41.5 -37.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -109.31 109.39 20.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.609 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -100.99 119.52 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 11' ' ' THR . 31.5 ttm180 -112.72 141.47 46.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.782 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.5 m-85 -140.25 134.12 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 63' ' ' GLU . 33.1 tp -96.93 90.99 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 t -88.83 150.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.889 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -118.98 143.18 47.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 95.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -86.75 169.47 12.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -87.21 173.79 9.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.551 HG12 ' CD ' ' A' ' 101' ' ' LYS . 69.9 t -67.86 -49.53 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.04 -55.54 3.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -38.32 -58.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -54.91 -53.54 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' CD ' HG12 ' A' ' 97' ' ' VAL . 17.3 mtpt -44.85 -47.08 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 17.7 mttt -59.26 -37.67 78.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.9 mm -70.1 -30.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.25 152.82 27.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.0 m -101.44 92.81 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.6 157.42 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.15 37.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.1 p -152.25 168.9 23.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.8 m -101.24 87.77 3.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.981 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.1 145.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m 63.17 129.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 108.92 0.35 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.19 167.85 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -166.71 170.05 12.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.87 -145.96 20.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 16.3 p90 -124.73 142.3 51.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 92' ' ' VAL . 49.4 t -93.86 154.62 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 33.2 p90 -142.84 138.1 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 m -84.55 162.5 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.031 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -142.54 111.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.93 116.98 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.1 mt -128.88 170.69 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.41 124.56 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.01 107.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.6 -176.76 16.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -102.73 -18.54 15.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.07 46.04 2.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.07 -156.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.97 55.18 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.744 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -116.91 101.33 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 111.048 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.12 69.71 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.744 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.4 mt -74.92 154.98 37.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB2' ' A' ' 41' ' ' GLN . 4.3 tt -149.87 154.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' MET . 33.6 t0 -73.97 120.4 19.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.8 -29.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.6 mmm -63.74 -49.35 73.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.5 m170 -56.27 -33.09 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.543 HG21 HD13 ' A' ' 103' ' ' ILE . 21.5 p -86.03 171.66 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -16.41 62.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HD2' ' A' ' 102' ' ' LYS . 2.3 tp -50.22 -29.38 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.08 25.59 1.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -127.78 145.96 56.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -74.97 134.86 18.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.62 27.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.38 140.33 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 24.7 m-85 -150.89 169.62 21.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 25' ' ' LEU . 53.0 mt -93.22 130.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -108.29 -37.67 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -148.02 175.5 10.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 55' ' ' LEU . 19.6 mt -140.75 98.03 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -44.34 141.96 2.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.99 148.53 35.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.56 12.73 34.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 p -93.06 170.33 8.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.617 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -39.06 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 23' ' ' MET . . . -61.29 -17.35 53.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.45 -43.58 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.2 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 12.4 t70 -60.4 -57.37 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.24 -59.4 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.86 -56.22 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.031 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.34 114.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -117.55 179.81 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 41' ' ' GLN . 9.7 mt -89.23 130.53 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.83 -18.08 44.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' HB2' HD12 ' A' ' 40' ' ' ILE . 45.6 m-20 -44.27 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HD3' HD21 ' A' ' 62' ' ' LEU . 20.3 ttt180 -134.65 119.99 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.5 mm -76.83 129.37 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.524 HD21 ' HD3' ' A' ' 60' ' ' ARG . 49.8 mt -107.14 -36.99 6.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -136.03 161.32 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -144.87 113.74 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 56.78 33.04 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 26.72 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -119.73 104.53 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.027 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' SER . 43.2 m -38.4 118.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -94.23 44.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.4 mt -102.64 115.76 31.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 105.06 -56.94 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.572 ' HB2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -39.02 114.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.07 -142.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.579 1.174 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 64.8 t80 -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 75' ' ' LEU . 6.7 mt -89.04 -37.09 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -58.05 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -53.22 -49.92 65.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 5.4 p -60.82 -42.63 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.79 -39.5 77.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.5 mt -59.01 -57.32 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.073 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -64.8 -36.3 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -51.23 65.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -90.89 35.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.66 -144.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.94 62.05 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 -78.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -67.09 107.53 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 71.0 mmm -114.38 120.22 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -117.33 143.47 45.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CD1' HG22 ' A' ' 64' ' ' VAL . 15.7 m-85 -142.38 138.84 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.85 90.02 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 t -87.7 150.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.61 144.86 47.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.7 96.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.34 173.75 8.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.9 166.28 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.3 m -61.6 -50.76 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.482 ' N ' HG23 ' A' ' 97' ' ' VAL . 43.7 mm-40 -40.94 -58.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -40.91 -44.15 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.728 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -73.67 -39.92 64.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' GLU . 39.6 mttt -48.04 -38.33 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' HD12 ' A' ' 33' ' ' LEU . 13.6 mttt -74.03 -33.26 63.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -73.96 -31.34 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.728 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 9.9 p80 -144.04 104.58 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' GLY . 70.4 p -123.45 170.64 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 105' ' ' SER . . . 37.9 82.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.22 166.92 10.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.9 p -108.56 108.08 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -73.39 -58.41 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -162.46 170.52 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.99 163.96 31.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.99 152.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.26 148.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.51 158.84 20.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 27.3 p90 -101.14 138.46 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.1 t -92.35 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.1 p90 -142.8 138.88 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -83.89 162.3 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -142.13 112.72 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.36 103.12 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -109.22 158.49 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -112.13 110.44 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -38.85 106.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.95 -171.65 31.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.32 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -114.27 -6.01 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 86.49 48.32 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 83.32 -137.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 169.68 75.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -144.31 122.81 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.71 78.37 0.91 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.55 149.15 47.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 4.4 tt -143.37 153.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' HA ' HD23 ' A' ' 38' ' ' LEU . 3.3 p-10 -76.61 123.86 26.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.18 -22.9 2.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -27.89 62.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.46 -38.13 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HD13 ' A' ' 103' ' ' ILE . 5.2 p -79.85 151.04 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLY . 4.3 m80 -39.61 -35.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -39.77 -32.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 46.03 24.78 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -111.53 155.31 43.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.35 30.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.6 172.8 13.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 27.2 mt -113.33 145.96 40.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 9.9 m-85 -143.83 161.84 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.433 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.3 mt -75.55 123.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 3.8 tt0 -104.32 -31.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -153.2 166.14 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.2 mt -143.0 123.86 14.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.766 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -64.63 159.14 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.766 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -70.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.3 4.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 3.8 p -128.98 162.7 50.39 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.809 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.474 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -74.96 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -60.17 -24.11 64.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -94.4 -32.6 13.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.32 71.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -59.47 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 108.11 -53.15 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -38.42 -49.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -58.68 112.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 135.64 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -40.42 133.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.46 34.79 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 16.5 m-20 -74.62 157.61 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 16.5 ttt180 -126.35 119.9 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.691 HD13 ' HB ' ' A' ' 92' ' ' VAL . 13.0 mm -77.94 146.9 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.8 mt -118.27 -48.18 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -128.92 163.68 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -144.72 106.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.408 ' ND2' ' HA2' ' A' ' 84' ' ' GLY . 15.5 m-20 62.75 25.26 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.79 30.38 35.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.8 103.57 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -46.86 120.68 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -105.23 44.47 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.53 83.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.88 -16.31 10.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 76' ' ' ARG . 6.9 mt -67.83 124.15 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.51 160.87 3.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 1.038 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.0 t80 -55.39 -47.74 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.37 -52.54 63.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.4 mmt180 -50.26 -37.68 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.904 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -72.78 -49.32 31.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 74' ' ' TYR . 44.5 t -51.29 -47.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.24 -50.0 75.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 72' ' ' LEU . 22.2 mt -46.18 -50.82 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.823 HD11 HG21 ' A' ' 64' ' ' VAL . 1.8 mp -68.0 -42.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -52.06 -55.2 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -92.61 35.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.63 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' ND2' ' A' ' 65' ' ' ASN . . . -37.55 -91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.03 54.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 71.46 -63.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -97.79 111.84 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.25 133.9 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.71 ' HD1' HG22 ' A' ' 64' ' ' VAL . 38.5 m-85 -131.69 133.99 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 tp -104.26 89.52 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.691 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -103.45 156.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.26 157.58 18.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 96.06 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.11 178.89 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.1 160.69 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 98' ' ' GLU . 7.5 p -52.06 -57.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.573 ' N ' HG13 ' A' ' 97' ' ' VAL . 11.5 mt-10 -42.76 -57.66 2.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.532 HG23 HD11 ' A' ' 33' ' ' LEU . 1.3 m -45.03 -35.06 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 97' ' ' VAL . . . -73.41 -42.03 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 98' ' ' GLU . 20.9 mttt -45.65 -51.75 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 4.3 mttt -56.1 -40.61 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.502 HD13 HG21 ' A' ' 31' ' ' THR . 2.0 mm -63.9 -17.53 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -106.36 107.07 17.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -40.0 -43.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.85 100.78 2.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 m 61.82 118.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -112.64 145.22 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -159.11 170.43 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 170.59 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.66 179.57 16.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -164.92 144.36 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.937 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.01 163.98 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.13 159.43 8.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 5.1 p90 -130.67 155.72 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.1 t -103.37 163.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.2 p90 -147.4 137.92 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -83.88 159.9 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -138.51 111.79 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -104.22 108.51 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.847 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.3 mt -122.18 174.06 7.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.6 tt0 -126.23 112.82 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -37.96 108.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 -173.06 48.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.87 8.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -110.3 -22.38 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 46.15 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 77.73 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 44' ' ' LEU . . . 74.53 63.6 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.75 104.7 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.781 . . . . 0.0 111.004 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.33 73.03 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 40' ' ' ILE . 12.3 mt -83.32 129.44 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tt -125.93 158.21 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -73.53 120.57 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.541 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -41.96 -29.69 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.95 -42.83 80.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.1 m-70 -61.05 -38.64 86.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 p -81.26 155.77 25.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -44.27 -30.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.565 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.3 tp -40.02 -41.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 14.22 31.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.6 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -105.83 155.03 38.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.43 40.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.09 170.82 25.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.2 mm? -100.57 148.55 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 19.9 m-85 -143.24 148.51 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.576 HG21 ' CD2' ' A' ' 43' ' ' LEU . 7.3 mt -70.96 128.99 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -113.21 -29.46 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -114.41 136.12 53.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.14 137.73 37.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.46 39.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 15.88 23.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.4 p -97.33 166.61 13.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.588 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 -36.01 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.63 -62.56 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.792 ' HB2' HD12 ' A' ' 43' ' ' LEU . . . -58.44 -47.49 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 47' ' ' SER . . . -44.32 -46.42 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB2' HD21 ' A' ' 14' ' ' LEU . 24.6 t70 -46.85 -40.2 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . 87.53 -55.51 4.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.09 -41.21 16.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -66.51 105.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -126.42 143.41 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -44.49 137.25 3.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.28 -24.57 28.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' HB3' HG21 ' A' ' 92' ' ' VAL . 5.9 m-20 -53.38 153.74 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 24.9 ttt180 -124.58 122.8 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.593 HD13 ' HB ' ' A' ' 92' ' ' VAL . 11.2 mm -79.35 151.5 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 56.8 mt -123.46 -46.9 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -131.78 158.47 41.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.041 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -141.09 111.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.32 12.89 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.72 37.31 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.97 112.06 15.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -51.84 117.92 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -93.65 31.52 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.1 mt -94.4 99.86 11.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.97 -32.43 7.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 69' ' ' LEU . 13.5 mt -51.51 127.1 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.47 -161.95 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.63 -33.88 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.498 ' HA ' HG12 ' A' ' 78' ' ' VAL . 13.3 mt -78.46 -22.96 46.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' HB3' HD22 ' A' ' 72' ' ' LEU . 13.2 mmt-85 -83.11 -43.85 15.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.48 -44.29 75.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -61.02 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 78' ' ' VAL . 9.7 t70 -57.29 -42.91 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 72' ' ' LEU . 25.3 mt -51.83 -58.76 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -65.61 -48.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -50.37 -53.76 26.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.06 35.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.75 -141.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.03 32.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 10.8 mttm -45.46 -37.91 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -108.96 116.64 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.56 120.1 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -109.17 133.86 52.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.775 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.3 m-85 -131.48 135.84 47.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.3 tp -106.69 90.23 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.24 149.24 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.49 173.52 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -88.7 97.39 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -84.87 176.42 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -122.08 178.81 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 98' ' ' GLU . 34.1 m -60.38 -52.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -41.32 -51.93 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -53.03 -41.01 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -43.91 -44.59 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.564 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.3 mttt -72.48 -38.37 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.427 HG23 ' OE1' ' A' ' 41' ' ' GLN . 1.6 mm -64.14 -24.88 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -105.22 166.62 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 145.87 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.35 98.89 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -44.85 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 t -49.27 -54.29 17.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 124.07 28.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.63 98.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 159.18 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.24 143.66 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.24 -56.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 p -166.36 142.81 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.5 153.3 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 9' ' ' VAL . 2.5 t80 -131.27 161.0 33.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 92' ' ' VAL . 37.7 t -130.68 151.05 35.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 36.5 p90 -141.46 137.87 32.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -85.37 158.42 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -140.04 120.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -109.95 102.67 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD11 ' OD1' ' A' ' 52' ' ' ASP . 3.1 mm? -106.3 158.22 17.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -102.27 105.45 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.92 126.75 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.36 -175.07 31.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.22 21.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -112.44 -24.06 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 145.77 -116.04 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER -141.26 14.55 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 47.45 59.05 6.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.406 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -136.51 100.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -69.44 70.36 0.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 ' SD ' ' A' ' 23' ' ' MET . 18.2 mt -77.13 135.29 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -129.4 155.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' HIS . 49.9 t0 -72.3 116.93 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.07 0.3 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.95 -47.69 79.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -54.61 -40.41 68.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.586 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -79.91 149.72 30.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.2 t60 -39.04 -32.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.64 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tp -41.13 -29.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 42.92 26.25 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -113.76 151.77 44.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.1 25.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 125.45 165.07 11.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -100.09 150.87 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.6 m-85 -150.89 145.95 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.692 HD11 HD22 ' A' ' 55' ' ' LEU . 30.9 mt -63.11 142.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -124.52 -40.97 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.12 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD12 ' CA ' ' A' ' 50' ' ' ALA . 2.3 mm? -119.27 111.62 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -61.92 141.45 95.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 144.53 30.42 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.01 13.58 59.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.493 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -93.6 172.22 6.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.64 -45.87 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.772 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -61.04 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.07 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' OD1' HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -47.25 -53.84 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.2 -62.4 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -44.65 -41.03 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.773 HD13 ' HB1' ' A' ' 49' ' ' ALA . 34.9 mt -58.93 108.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.1 m -104.36 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.726 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.3 mt -77.84 126.54 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.44 -14.67 39.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.508 ' HB3' HG13 ' A' ' 92' ' ' VAL . 85.1 m-20 -45.89 167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.3 ttt180 -135.45 134.95 40.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.464 ' O ' HD23 ' A' ' 62' ' ' LEU . 13.5 mm -87.29 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 93' ' ' ALA . 21.7 mt -119.54 -40.76 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' OE1' HD22 ' A' ' 91' ' ' LEU . 83.3 mt-10 -138.5 161.4 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -150.28 113.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.28 15.26 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.72 19.83 50.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.9 102.79 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -39.41 111.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.88 63.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' GLY . 40.8 mt -84.36 98.89 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' LEU . . . 33.81 55.92 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.779 HD11 ' CB ' ' A' ' 76' ' ' ARG . 0.2 OUTLIER -84.18 154.18 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.7 ' H ' HD12 ' A' ' 72' ' ' LEU . . . -31.94 125.07 0.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' O ' HG12 ' A' ' 78' ' ' VAL . 65.7 t80 -47.25 -44.99 23.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 75' ' ' LEU . 6.0 mt -68.29 -23.33 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.779 ' CB ' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.53 -55.92 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.672 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -55.52 -42.06 74.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 74' ' ' TYR . 9.8 p -62.89 -46.79 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 78' ' ' VAL . 11.5 t70 -54.33 -54.49 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 80' ' ' LEU . 12.9 mt -41.11 -62.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.623 HD11 HG21 ' A' ' 64' ' ' VAL . 1.7 mp -61.42 -53.98 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -53.27 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -91.48 36.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -129.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -172.02 169.44 42.53 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' GLY . 67.3 mttt -40.33 -36.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 113.72 24.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -111.38 129.28 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.695 HH21 HD13 ' A' ' 91' ' ' LEU . 2.1 tmt_? -116.22 144.73 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CD1' HG22 ' A' ' 64' ' ' VAL . 38.1 m-85 -144.58 124.93 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.695 HD13 HH21 ' A' ' 89' ' ' ARG . 15.4 tp -88.29 92.18 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.2 t -88.26 153.23 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.68 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.92 134.18 54.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 95.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -176.89 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.74 155.52 17.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 98' ' ' GLU . 19.2 m -44.32 -47.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 97' ' ' VAL . 33.3 mt-10 -40.26 -61.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.42 -47.52 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.55 -44.58 77.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -47.01 -57.07 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -57.86 -35.31 70.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -66.8 -39.04 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER 49.15 -175.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.639 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.522 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 49.9 m -146.72 -66.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.32 -149.05 5.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.09 15.1 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 t -161.11 145.2 13.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.95 131.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -87.45 -58.24 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 -57.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.88 -155.78 21.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.098 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.99 130.28 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -138.69 -63.78 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.46 17.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 33.5 p90 -110.89 168.9 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.66 162.52 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.632 ' CE1' HG22 ' A' ' 92' ' ' VAL . 33.8 p90 -145.9 149.25 33.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.7 m -90.96 158.09 16.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -140.87 111.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.08 113.51 26.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -124.55 170.48 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.07 119.0 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 111.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.32 -175.93 37.8 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.52 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -101.64 -23.57 14.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.22 1.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.6 OUTLIER 75.14 -140.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 174.55 78.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.2 mtm -150.54 128.49 11.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -96.21 78.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -76.93 155.55 32.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.6 tt -164.2 147.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 55.0 p30 -71.45 155.94 40.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -83.74 37.3 2.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 36' ' ' PRO . 54.0 mmm -102.59 -51.83 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 1.063 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -76.0 -28.9 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.063 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.9 p -80.07 158.06 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.14 -23.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD23 ' HA3' ' A' ' 28' ' ' GLY . 6.4 tp -39.47 -59.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.97 16.62 79.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -131.0 142.35 45.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 18.2 Cg_endo -74.99 131.76 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.563 1.822 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . 168.29 -160.53 34.09 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -129.76 140.21 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 4.9 m-85 -159.25 159.41 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 36.5 mt -82.1 139.54 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -116.02 -39.78 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.417 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -147.48 164.51 33.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 50' ' ' ALA . 3.2 mm? -123.42 99.36 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -40.17 142.52 0.71 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 158.39 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.14 27.3 0.64 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -101.66 171.13 5.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.048 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -52.72 -58.0 8.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 43' ' ' LEU . . . -52.45 -41.54 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.23 77.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB2' HD21 ' A' ' 14' ' ' LEU . 19.1 t70 -47.21 -38.91 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -55.02 4.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.4 -48.3 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 40' ' ' ILE . 23.3 mt -55.79 104.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -101.4 169.6 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.793 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.0 mt -82.18 132.98 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.18 -23.49 33.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 99.0 m-20 -43.33 159.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 ttt180 -122.07 122.32 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 mm -77.18 146.68 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 93' ' ' ALA . 41.6 mt -121.65 -45.27 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 91' ' ' LEU . 41.0 mt-10 -130.97 162.17 30.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -144.62 105.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.95 18.8 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.67 33.02 28.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 102.08 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 m -38.94 127.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 HD12 ' A' ' 80' ' ' LEU . 10.5 mt -116.75 36.25 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.6 mt -92.87 108.57 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.66 -25.67 22.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 69' ' ' LEU . 8.6 mt -67.15 135.43 53.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.99 149.28 51.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 10.0 t80 -42.66 -50.84 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.6 -57.42 11.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.3 mmt-85 -52.07 -38.34 56.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 69' ' ' LEU . . . -69.51 -38.89 77.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 79.5 t -57.18 -53.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 11.2 t70 -47.08 -50.37 19.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.988 HD12 HD21 ' A' ' 69' ' ' LEU . 14.4 mt -48.86 -58.1 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.95 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -60.07 -42.49 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 78' ' ' VAL . 1.5 mmp_? -54.43 -57.86 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' ND1' ' OD1' ' A' ' 79' ' ' ASP . 26.5 m80 -91.3 36.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -36.63 -92.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.49 58.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp 68.25 -64.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.1 mttp -93.72 111.48 23.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.59 119.56 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.3 ttt180 -113.34 150.43 32.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.759 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.3 m-85 -148.62 128.95 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 9' ' ' VAL . 20.9 tp -99.12 92.84 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.95 139.43 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -95.44 141.89 28.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.21 95.72 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 167.12 11.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.94 169.53 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.68 -38.1 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.6 mt-10 -46.79 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLU . 1.9 m -38.69 -39.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -77.56 -45.45 25.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' GLU . 7.8 mttm -39.77 -49.76 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 1.1 mttt -61.88 -45.65 92.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -62.17 -29.05 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' ALA . 55.0 m170 -75.84 124.41 27.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.0 p -63.15 -61.19 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.5 71.15 1.05 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -42.88 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.771 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.6 p -112.3 150.71 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.06 121.65 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.35 -60.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -77.44 -177.47 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 146.09 4.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.97 159.11 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.21 173.23 45.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 94' ' ' LYS . 14.0 p90 -108.89 140.45 42.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG11 HD12 ' A' ' 62' ' ' LEU . 39.6 t -94.6 158.97 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 34.4 p90 -148.07 138.33 22.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -85.2 162.8 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.856 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -139.93 111.19 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -107.13 108.15 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -116.53 171.04 8.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.43 117.78 32.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LYS . 2.5 ttt180 -40.78 120.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.42 -173.72 33.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 m -96.23 -14.07 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.1 41.36 6.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 86.77 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 55.54 22.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.092 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.786 ' SD ' HD21 ' A' ' 25' ' ' LEU . 1.2 ttm -120.37 101.83 8.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -68.69 66.75 0.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.786 HD21 ' SD ' ' A' ' 23' ' ' MET . 17.7 mt -71.39 144.9 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.5 tt -144.16 152.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.6 t0 -72.57 126.02 28.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.38 -27.42 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 35' ' ' ALA . 15.4 mmm -70.83 -44.88 65.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ASP . 11.2 m170 -61.03 -13.57 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 p -107.34 159.79 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -54.49 -20.23 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 35' ' ' ALA . 2.1 tp -44.69 -35.82 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.04 23.46 31.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -125.18 146.97 55.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.527 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 152.97 177.02 26.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.595 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 3.9 mm? -113.54 141.73 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 7.9 m-85 -149.05 159.05 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 25' ' ' LEU . 63.3 mt -82.44 121.84 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 26' ' ' ILE . 1.2 tt0 -95.87 -31.65 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -153.57 165.47 35.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.756 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.5 mt -143.09 130.22 20.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.55 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -78.09 156.27 79.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.24 49.64 4.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 p -128.95 160.41 63.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.04 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.7 -21.71 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.32 -32.57 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.17 -42.24 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.775 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.0 t70 -55.11 -60.4 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.61 -52.73 0.62 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.11 -45.45 22.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.285 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.856 ' CD1' HG11 ' A' ' 12' ' ' VAL . 1.5 mp -55.76 108.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -133.74 142.6 48.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.756 ' CD1' HD12 ' A' ' 43' ' ' LEU . 1.4 mp -44.47 125.54 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.7 -12.65 20.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.585 ' OD2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -52.23 164.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -132.47 112.02 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -76.72 127.64 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 93' ' ' ALA . 30.1 mt -109.91 -32.12 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -145.28 159.08 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.03 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -140.13 109.92 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.43 19.02 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.93 21.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 126.3 52.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 p -57.42 131.13 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 77' ' ' ALA . 11.9 mt -123.66 54.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.27 -68.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.23 12.66 67.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 76' ' ' ARG . 8.0 mt -92.21 117.87 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.83 -166.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 78' ' ' VAL . 79.3 t80 -75.48 -67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 74' ' ' TYR . 7.5 mp -45.87 -44.63 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.686 ' HB3' HD22 ' A' ' 72' ' ' LEU . 21.1 mmt180 -54.75 -43.82 73.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -78.62 -32.29 47.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 74' ' ' TYR . 56.6 t -66.32 -46.79 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.78 -33.79 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -61.55 -54.01 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.03 HD11 HG21 ' A' ' 64' ' ' VAL . 2.0 mp -67.51 -27.99 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.19 -55.12 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.55 35.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.49 -135.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -158.5 -176.59 30.72 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.4 mttm -39.31 -47.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 134.21 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.854 ' HG3' HD21 ' A' ' 21' ' ' LEU . 2.0 mtp -107.09 128.28 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -103.54 138.93 39.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.678 ' HD1' HG22 ' A' ' 64' ' ' VAL . 29.2 m-85 -138.84 137.35 36.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.5 tp -96.06 89.15 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' OD2' ' A' ' 59' ' ' ASP . 35.7 t -89.06 157.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.43 167.15 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.45 95.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.6 m -82.18 167.56 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.16 167.71 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.1 m -60.81 -51.3 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.492 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.11 -49.63 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -49.96 -43.79 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.34 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -46.78 -55.15 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.68 -39.19 73.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.3 mm -63.37 -36.67 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -149.63 109.66 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 m -96.55 -65.22 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.41 168.96 44.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.46 42.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.1 t 71.41 149.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.6 t -78.96 146.39 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -120.39 153.53 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 92' ' ' VAL . 50.7 t -105.86 154.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 92' ' ' VAL . 29.1 p90 -139.85 138.86 36.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.1 m -83.29 162.39 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.611 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -140.77 111.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 16.9 mt-10 -106.57 111.75 24.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -125.93 170.97 11.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.35 115.22 24.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -38.68 105.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.84 -174.06 12.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.12 20.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -2.7 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 81.53 48.39 5.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 81.39 -137.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.746 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 165.67 65.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.94 101.1 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.794 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -71.51 73.3 0.77 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.666 HD13 HG13 ' A' ' 61' ' ' ILE . 9.5 mt -79.85 142.06 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -137.84 153.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.3 p-10 -70.9 122.78 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.62 -28.76 2.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.42 -33.63 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -73.73 -37.23 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.514 HG21 HD13 ' A' ' 103' ' ' ILE . 29.3 p -81.37 155.67 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -42.56 -34.89 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -40.36 -37.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.34 20.61 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.83 154.25 42.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 163.7 13.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 mm? -93.36 154.51 17.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 67.1 m-85 -151.45 148.43 28.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 59' ' ' ASP . 17.5 mt -69.65 130.68 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 6.5 tt0 -111.68 -42.28 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.71 174.04 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 55' ' ' LEU . 10.5 mt -144.6 93.71 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.713 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -41.17 151.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -58.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.14 51.13 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 36.1 p -128.96 158.68 71.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.4 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -35.5 3.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.048 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.97 -40.61 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -77.53 -47.61 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -24.62 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' HB2' HD21 ' A' ' 14' ' ' LEU . 10.8 t70 -63.57 -55.55 22.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.15 -58.22 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.571 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -43.17 -57.89 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.611 ' CD1' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -43.73 113.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -114.14 155.36 26.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.09 130.15 42.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.56 30.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.647 ' HB2' HD12 ' A' ' 40' ' ' ILE . 54.7 m-20 -40.44 155.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 26.5 ttt180 -122.53 124.79 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.666 HG13 HD13 ' A' ' 25' ' ' LEU . 12.4 mm -78.83 154.43 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 61' ' ' ILE . 36.1 mt -128.48 -46.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -129.97 160.85 32.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.978 HG21 HD11 ' A' ' 81' ' ' ILE . 1.9 t -144.57 108.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 58.78 36.95 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.59 64.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.45 106.26 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -52.12 125.5 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -104.79 46.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.66 85.64 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.84 -20.9 16.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.7 mt -59.83 117.47 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.62 17.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 1.026 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.1 t80 -39.86 -47.1 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.89 -54.35 48.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -49.91 -48.13 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.41 -52.95 63.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 74' ' ' TYR . 37.9 t -53.45 -42.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.27 -59.49 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.978 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -59.19 -43.1 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -55.06 -56.62 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.35 35.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.638 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.95 -144.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.03 178.15 28.61 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -49.95 -36.08 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -112.75 111.19 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -103.35 122.52 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 9.3 mtt180 -111.71 138.44 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.67 ' HD1' HG22 ' A' ' 64' ' ' VAL . 49.4 m-85 -139.18 137.81 36.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LEU . 19.4 tp -109.05 92.41 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.55 155.8 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -112.8 137.12 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.7 97.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.6 m -86.9 174.27 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.65 179.44 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' A' ' 101' ' ' LYS . 78.6 t -71.17 -51.73 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.58 -44.76 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -51.8 -44.3 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -69.37 -43.35 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 97' ' ' VAL . 5.9 mttm -43.7 -52.1 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.04 -38.26 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -68.0 -40.87 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.672 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 22.3 p80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.647 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -126.81 159.0 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.549 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 47.8 t -124.86 162.83 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.6 p90 -145.06 138.19 26.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -86.3 151.87 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.921 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -130.77 111.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.09 106.66 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -116.91 173.42 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -121.26 122.11 39.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -38.3 137.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.42 -171.05 22.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -115.42 -7.35 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 85.39 49.58 4.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.524 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.55 -135.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 166.85 73.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.428 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -145.11 117.34 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -93.71 79.6 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -71.13 143.31 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tt -136.19 160.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.1 t70 -84.09 122.07 28.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.96 -27.32 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.1 mmt -69.69 -40.58 76.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.3 m170 -67.16 -32.52 73.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 103' ' ' ILE . 17.8 p -81.96 158.09 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -30.38 2.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.8 tp -44.96 -47.27 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.93 24.51 68.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.699 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -112.98 152.0 44.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.38 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.466 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 136.56 164.9 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.3 mm? -103.91 146.94 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 27.6 m-85 -148.17 160.42 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt -75.04 123.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 8.4 tt0 -100.92 -41.22 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.98 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -144.59 100.34 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -48.31 154.87 1.01 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -73.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.0 55.39 2.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.478 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 91.2 p -129.64 160.52 64.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -75.01 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.26 -40.98 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.43 -49.86 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.34 -36.79 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.629 ' HB2' HD21 ' A' ' 14' ' ' LEU . 40.7 t0 -52.42 -60.26 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.57 -62.45 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.26 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.921 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.06 115.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -126.78 161.53 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.11 132.03 45.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.96 -24.33 28.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 41.5 m-20 -43.26 154.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.546 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.6 ttt180 -121.18 117.03 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' HD23 ' A' ' 62' ' ' LEU . 4.2 mm -76.04 150.88 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 61' ' ' ILE . 40.6 mt -125.67 -44.16 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.57 163.4 28.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.055 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.15 110.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 60.67 30.36 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.5 40.05 33.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.14 110.65 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 72' ' ' LEU . 96.8 p -41.18 124.18 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.737 HD11 ' HA ' ' A' ' 77' ' ' ALA . 7.8 tp -103.96 -47.23 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 60' ' ' ARG . 4.2 mt -43.13 110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.08 -52.01 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.806 HD22 ' CB ' ' A' ' 76' ' ' ARG . 1.7 mt -43.05 126.55 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.44 138.37 7.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 t80 -38.02 -50.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.42 -58.32 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.806 ' CB ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -46.78 -44.03 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -61.98 -43.67 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 74' ' ' TYR . 59.7 t -64.08 -49.54 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -45.95 64.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.98 -56.07 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.055 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -66.13 -45.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -43.8 -51.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -91.35 35.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.56 104.79 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . -131.54 177.09 18.82 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 64.57 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.4 mtmt -117.23 117.42 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.524 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -119.54 119.94 35.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -115.43 144.83 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.0 m-85 -144.39 139.11 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.7 tp -103.31 90.04 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -105.44 135.13 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.36 -178.9 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -86.07 99.14 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 167.24 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.62 157.21 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 98' ' ' GLU . 9.1 p -49.12 -57.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' N ' HG13 ' A' ' 97' ' ' VAL . 2.7 mm-40 -45.64 -57.21 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -47.69 -47.42 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.53 81.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -45.01 -53.56 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.67 -40.32 75.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.517 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -65.34 -27.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CE1' ' HG2' ' A' ' 94' ' ' LYS . 10.2 p90 -137.74 168.08 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 0.728 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.718 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.21 164.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 33.4 p90 -147.64 140.23 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.1 m -87.43 154.82 20.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -134.01 111.95 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.92 108.31 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -118.97 177.99 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' ARG . 13.7 tt0 -119.1 116.11 25.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' CZ ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -38.33 101.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.55 -175.33 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -20.08 17.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.58 -11.45 17.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.054 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 51.16 1.01 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER 77.86 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -162.29 59.17 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.09 117.73 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.033 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.78 83.33 1.02 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -70.61 142.53 51.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -124.64 154.28 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 34.7 t0 -76.08 121.12 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.91 14.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.21 -19.03 63.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 35.8 m170 -86.03 -34.69 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 103' ' ' ILE . 2.0 p -80.19 152.53 29.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -26.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.587 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 35' ' ' ALA . 7.0 tp -47.58 -37.01 11.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.61 28.41 45.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -116.82 152.33 48.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.63 25.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.89 159.96 10.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 mt -99.32 146.04 26.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 16.9 m-85 -141.25 142.97 33.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 HD22 ' A' ' 55' ' ' LEU . 5.4 mt -55.87 119.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 57' ' ' LEU . 28.9 tt0 -109.86 -31.12 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.92 167.04 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 21.6 mt -145.37 108.68 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -55.74 158.73 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.0 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.71 62.77 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.468 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -130.23 169.98 12.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.797 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.06 -37.93 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.98 -67.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.54 -40.15 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.13 -54.84 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.672 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.3 t70 -48.9 -50.13 36.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.93 -46.04 2.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.58 -42.86 56.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 23' ' ' MET . 37.5 mt -55.95 102.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.4 m -109.37 163.04 13.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.8 mt -75.26 133.25 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.7 -21.55 32.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' HG13 ' A' ' 92' ' ' VAL . 11.0 m-20 -51.4 163.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 33.6 ttt180 -128.6 135.36 49.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -89.96 129.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 93' ' ' ALA . 90.5 mt -107.74 -32.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -147.2 157.7 43.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.003 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -137.93 110.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 20.53 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.74 38.9 8.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.27 109.8 12.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -47.66 120.79 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 72' ' ' LEU . 7.1 mt -107.3 60.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -104.6 -71.99 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.55 37.96 3.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 69' ' ' LEU . 13.9 mt -107.28 134.22 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -74.06 152.62 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.75 -39.66 38.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt -73.16 -23.6 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' GLY . 4.6 mmt-85 -80.27 -42.93 22.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -66.75 -52.5 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 79' ' ' ASP . 13.3 p -50.06 -49.13 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -55.88 -54.76 40.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.5 mt -41.46 -51.23 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.003 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -67.25 -44.89 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . 2.7 mtt180 -50.65 -55.38 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' GLY . 32.1 m80 -91.52 35.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -37.19 -91.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 140.94 55.22 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.31 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLY . 5.5 mtpt -94.17 108.11 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.43 120.31 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 13.7 ttp180 -112.85 149.61 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.794 ' HD1' HG22 ' A' ' 64' ' ' VAL . 31.0 m-85 -146.68 127.69 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' VAL . 11.5 tp -88.38 92.91 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 17.2 t -91.33 130.53 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -100.48 130.55 46.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -68.2 96.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 164.53 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.64 172.53 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.504 HG12 ' HE2' ' A' ' 101' ' ' LYS . 55.2 t -65.42 -46.15 90.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -39.67 -56.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -43.6 -43.66 5.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -66.82 -48.76 67.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.504 ' HE2' HG12 ' A' ' 97' ' ' VAL . 64.2 mttm -41.91 -53.28 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -54.23 -43.45 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.581 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -62.16 -22.95 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.4 m170 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.583 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -104.64 147.81 27.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 92' ' ' VAL . 18.8 t -93.02 159.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 40.9 p90 -151.5 139.27 19.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.0 m -85.7 157.16 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.967 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.92 111.89 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 9.4 mt-10 -99.67 103.45 15.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -107.85 153.41 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.88 114.47 28.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 2.1 ttt-85 -42.22 103.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 -170.71 29.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -11.09 21.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -6.94 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.14 47.38 5.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 80.11 -165.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -159.6 66.31 0.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.461 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -140.55 106.32 5.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.66 88.7 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.41 143.52 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.884 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -134.79 152.31 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.37 121.05 18.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.06 -45.87 5.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 mmt -53.8 -40.8 66.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.98 94.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.6 HG21 HD13 ' A' ' 103' ' ' ILE . 2.2 p -79.9 154.31 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -42.68 -28.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.709 HD11 HG23 ' A' ' 99' ' ' THR . 2.3 tp -39.93 -50.1 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.31 10.77 63.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -103.56 154.96 37.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.04 39.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.27 164.58 18.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.605 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 10.2 mt -100.79 155.35 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 22.6 m-85 -148.86 151.19 34.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 24.0 mt -66.28 117.66 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.884 ' OE1' HD13 ' A' ' 26' ' ' ILE . 1.5 tt0 -99.52 -32.72 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.02 167.9 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -144.96 106.48 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.788 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -56.93 152.29 28.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.788 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 -75.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.17 57.73 0.83 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.3 p -131.46 168.91 15.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' HD12 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.02 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.96 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -55.91 -61.09 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -53.78 -42.15 67.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.0 -48.39 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.13 -53.49 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 103.48 -54.47 0.68 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -38.91 -55.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 0.766 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.967 ' CD1' HG11 ' A' ' 12' ' ' VAL . 2.5 mp -40.3 119.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -125.17 158.56 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.55 125.17 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.74 -1.06 36.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 3.5 m-20 -57.56 174.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' HD21 ' A' ' 62' ' ' LEU . 31.7 ttt180 -140.46 124.11 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.9 mm -84.93 133.52 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 93' ' ' ALA . 59.7 mt -111.17 -32.65 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -148.37 147.94 29.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.023 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -131.12 111.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 64.88 12.13 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 29.93 8.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.45 108.15 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 p -48.91 112.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -92.71 52.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -100.64 132.24 46.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.54 22.98 2.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.783 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.1 mt -86.19 126.05 33.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.37 139.4 41.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.964 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.1 t80 -40.48 -40.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -56.49 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.83 -47.41 31.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.41 -39.35 87.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 74' ' ' TYR . 81.6 t -68.18 -46.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 29.3 t0 -62.33 -26.08 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.57 -57.62 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.023 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -69.77 -37.0 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HE ' ' CE1' ' A' ' 83' ' ' HIS . 14.3 ttt180 -54.19 -54.11 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' CE1' ' HE ' ' A' ' 82' ' ' ARG . 17.5 m170 -91.49 35.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.68 -143.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.12 -179.88 28.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.33 -37.04 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -117.12 111.78 19.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 1.3 mtp -97.91 121.38 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 64.1 mtm180 -108.33 134.64 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.751 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.4 m-85 -135.27 130.59 35.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.1 88.93 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 21.5 t -89.45 150.69 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -120.8 152.2 38.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 100.67 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.0 m -82.99 -175.51 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.54 166.0 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 ' N ' ' A' ' 98' ' ' GLU . 11.4 p -61.56 -57.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.582 ' N ' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -40.4 -54.95 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 m -47.97 -42.99 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -68.87 -46.12 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -43.84 -47.11 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.7 mttt -67.7 -36.11 80.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 31' ' ' THR . 15.0 mm -62.53 -33.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.643 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 7.7 p90 -138.0 148.76 45.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 10' ' ' PHE . 33.2 t -96.33 162.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.5 p90 -152.18 137.94 17.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.9 m -82.0 155.81 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.162 HG11 HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -136.61 111.09 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.27 102.74 13.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.5 156.63 18.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ARG . 22.1 tt0 -108.58 109.43 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -38.6 106.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.48 -173.95 27.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.43 15.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -110.37 -23.44 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.52 53.94 0.8 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 76.32 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.73 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 162.9 60.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.575 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -126.78 101.59 6.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.75 65.8 1.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.575 HD21 ' SD ' ' A' ' 23' ' ' MET . 15.4 mt -71.98 141.17 49.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.8 tt -135.72 152.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -70.3 124.43 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.61 -40.39 17.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -61.4 -19.3 61.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -35.48 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.511 HG21 HD13 ' A' ' 103' ' ' ILE . 2.9 p -82.94 155.39 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.7 -32.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -40.98 -33.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.97 20.79 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.865 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.17 152.01 42.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.08 30.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.16 14.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 21.2 mt -99.77 153.13 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 32.3 m-85 -148.52 154.07 39.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 59' ' ' ASP . 18.0 mt -73.55 134.55 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 26' ' ' ILE . 3.1 tt0 -117.64 -38.57 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -145.03 171.2 14.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 55' ' ' LEU . 13.7 mt -144.76 104.2 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.1 mp -49.29 156.11 1.1 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -64.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.45 51.23 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.7 p -127.24 161.35 54.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -42.31 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.865 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -53.17 -28.97 28.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.17 -40.3 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -45.68 68.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.501 ' HB2' HD11 ' A' ' 14' ' ' LEU . 16.8 t0 -48.42 -59.86 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.88 -3.8 49.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 7.7 tpp180 -89.85 -61.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.162 HD13 HG11 ' A' ' 12' ' ' VAL . 1.2 mp -39.4 108.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -105.88 161.08 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.3 mt -73.46 131.38 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -23.3 36.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 40' ' ' ILE . 61.2 m-20 -41.12 160.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -126.33 118.59 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 25' ' ' LEU . 6.5 mm -76.06 148.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' LEU . 54.6 mt -123.99 -43.9 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.63 160.89 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.942 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -141.29 112.84 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.0 18.87 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.46 31.8 21.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 106.74 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.2 p -42.2 127.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 80' ' ' LEU . 7.3 mt -110.12 37.83 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.38 101.32 12.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.4 -38.11 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -53.02 127.25 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -164.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -89.34 -38.2 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' HA ' HG12 ' A' ' 78' ' ' VAL . 8.0 mt -73.23 -23.16 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.506 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.2 mmt-85 -85.2 -38.4 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -72.53 -43.52 63.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 79' ' ' ASP . 8.8 p -59.69 -48.25 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -53.16 -50.15 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.552 HD12 HD21 ' A' ' 69' ' ' LEU . 15.2 mt -43.64 -60.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -58.61 -47.6 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -48.9 -54.49 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' CE1' ' OD2' ' A' ' 79' ' ' ASP . 40.3 m80 -91.73 35.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.53 -135.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.25 171.36 37.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -40.28 -38.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -113.67 116.69 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.596 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.85 120.27 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 144.86 37.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.736 ' HD1' HG22 ' A' ' 64' ' ' VAL . 45.9 m-85 -145.17 130.81 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.7 tp -97.62 91.66 5.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.661 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -104.64 148.34 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.39 142.99 39.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 101.49 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.1 174.91 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -83.7 179.29 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 t -72.16 -41.98 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.31 -55.79 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -43.87 -39.55 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.07 64.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.68 -52.18 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 HG21 ' A' ' 31' ' ' THR . 2.9 mm -62.93 -31.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 2.4 p80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 3.4 p90 -120.41 157.66 28.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 92' ' ' VAL . 19.5 t -101.87 161.08 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 48.7 p90 -148.73 136.6 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -81.51 153.03 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.04 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -131.02 110.81 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 21.0 mt-10 -102.34 109.84 21.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -122.15 170.01 10.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 11.4 tt0 -119.55 138.56 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 108.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.51 -171.07 17.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.8 21.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -106.08 -15.67 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.88 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.771 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.05 -139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 168.62 73.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.56 123.14 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.67 82.82 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -75.31 154.93 37.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.3 tt -149.63 149.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.03 123.28 22.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.26 -23.54 1.9 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -31.44 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -34.79 57.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.7 p -81.99 151.97 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -41.89 -29.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.644 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.9 tp -40.88 -43.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.48 60.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -120.39 154.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.68 22.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.61 155.75 8.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 26' ' ' ILE . 13.9 mt -94.25 142.42 27.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 63.8 m-85 -141.7 138.65 32.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mt -54.02 135.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 57' ' ' LEU . 12.5 tt0 -116.78 -39.84 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.37 167.32 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.2 mt -144.91 102.71 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.82 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -46.34 152.99 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -65.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.28 49.86 4.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.5 p -123.49 161.2 47.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.473 ' C ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 -37.23 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.56 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.81 -43.0 14.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.64 -37.68 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.6 t70 -55.15 -60.47 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.64 -53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.32 -62.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.04 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.66 112.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.9 m -118.1 167.42 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 41' ' ' GLN . 12.0 mt -76.71 125.8 29.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.69 -12.83 46.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' A' ' 92' ' ' VAL . 30.8 m-20 -59.81 137.66 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 13.2 ttt180 -99.83 137.01 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.428 HD13 ' HB ' ' A' ' 92' ' ' VAL . 7.0 mm -91.67 154.45 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 61.5 mt -124.77 -44.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -136.89 152.03 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.095 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -132.23 105.86 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' CE ' ' A' ' 88' ' ' MET . 8.7 m-20 63.5 19.28 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.08 43.75 4.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 112.67 11.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 0.77 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -56.58 112.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -92.45 54.47 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.2 mt -97.02 119.72 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.13 26.35 6.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.914 ' HB2' HD23 ' A' ' 69' ' ' LEU . 5.6 mt -79.74 129.98 34.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -56.42 142.1 40.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' O ' HG12 ' A' ' 78' ' ' VAL . 68.7 t80 -50.12 -28.25 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HA ' HG12 ' A' ' 78' ' ' VAL . 16.5 mt -79.16 -31.15 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.5 mmt-85 -72.99 -43.43 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.978 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.94 -54.04 15.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 75' ' ' LEU . 6.4 p -53.36 -39.93 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 5.9 t70 -61.12 -39.31 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.52 -56.49 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.095 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -67.07 -22.14 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 7.4 ttt180 -77.21 -52.29 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -90.32 35.79 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.31 -141.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.56 -166.87 18.5 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -51.13 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -116.52 165.46 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.771 ' HG3' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -138.81 121.53 16.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 4.3 mtm180 -107.45 138.43 43.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 42.6 m-85 -136.87 140.47 42.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.4 tp -107.78 90.61 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.68 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.03 154.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.96 175.47 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -83.19 100.21 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.24 177.3 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -121.09 179.93 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.588 HG12 ' HD2' ' A' ' 101' ' ' LYS . 82.4 t -72.06 -54.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -44.05 -49.55 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -48.2 -51.32 25.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -62.8 -45.62 91.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.588 ' HD2' HG12 ' A' ' 97' ' ' VAL . 2.7 mttp -44.98 -36.72 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 33' ' ' LEU . 22.5 mttt -77.1 -38.53 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.1 mm -64.32 -30.55 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 m170 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.453 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 11.7 p90 -119.79 145.68 46.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.8 t -101.4 161.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 43.1 p90 -144.79 137.51 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 m -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.063 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.23 111.56 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -104.74 111.44 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 48' ' ' PRO . 1.4 mt -123.42 171.57 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 15.7 tt0 -120.21 150.19 41.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.99 126.89 31.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.35 -175.45 32.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -111.14 -22.78 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.8 55.13 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.732 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.6 OUTLIER 72.88 -141.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.546 ' O ' HD23 ' A' ' 43' ' ' LEU . . . 176.56 60.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.4 122.13 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.15 0.73 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -77.55 143.78 38.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tt -135.99 148.98 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' HIS . 35.9 t0 -65.74 117.85 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.98 -26.67 0.88 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -40.4 60.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.7 m170 -55.0 -38.4 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.449 HG21 HD13 ' A' ' 103' ' ' ILE . 21.9 p -80.44 156.21 26.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.73 -25.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.831 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -46.82 -35.48 6.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 20.12 7.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.127 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.831 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -106.85 152.48 40.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.01 40.67 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 163.27 22.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 7.1 m-85 -129.4 158.3 39.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.5 mt -71.66 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' O ' HD13 ' A' ' 57' ' ' LEU . 2.6 tt0 -113.84 -39.19 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.93 171.12 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 22' ' ' GLY . 8.4 mt -144.46 98.91 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 45' ' ' PRO . 1.1 tt -43.2 140.45 2.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 146.75 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.86 10.3 38.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.459 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -84.93 170.58 13.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.92 -34.95 3.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -64.47 -28.42 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -40.95 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.0 t70 -62.8 -60.26 3.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.07 -60.51 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -41.44 -62.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.063 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.99 114.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -125.24 164.04 21.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.3 mt -72.81 129.51 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.3 -18.9 35.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 64.3 m-20 -50.5 156.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 6.7 ttt85 -123.49 118.85 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.529 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.4 mm -75.0 150.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 60' ' ' ARG . 64.4 mt -123.19 -44.18 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -134.97 161.58 34.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.993 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -139.04 106.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 62.66 26.35 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.04 41.6 8.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.79 114.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.81 116.56 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 ' HB1' ' A' ' 77' ' ' ALA . 5.7 tp -105.36 60.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.01 -77.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.98 41.96 3.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 69' ' ' LEU . 22.1 mt -115.13 131.53 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.42 -163.03 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -90.99 -25.72 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 75' ' ' LEU . 14.7 mt -82.25 -27.66 32.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.2 mmt-85 -80.81 -39.29 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.988 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -70.61 -49.03 52.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 79' ' ' ASP . 9.9 p -54.08 -50.91 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.9 t70 -50.93 -47.39 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.53 -50.41 65.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.993 HD11 HG21 ' A' ' 64' ' ' VAL . 1.9 mp -67.22 -27.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -53.56 10.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OD2' ' A' ' 79' ' ' ASP . 40.8 m80 -92.54 36.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -50.54 -103.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 163.02 76.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 66.39 -73.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -93.16 152.59 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 21' ' ' LEU . 41.3 mmm -120.87 119.98 34.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 131.96 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.735 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.2 m-85 -131.68 141.22 49.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.5 tp -105.02 88.66 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.56 147.12 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.61 -179.94 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 98.22 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -171.65 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.4 175.52 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.53 -44.41 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -48.18 -56.7 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -45.96 -46.32 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -57.32 -49.71 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -41.63 -55.0 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.5 mttt -59.22 -38.62 80.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 31' ' ' THR . 1.4 mm -66.06 -22.84 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -107.74 163.77 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 10' ' ' PHE . 39.1 t -112.23 165.01 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 38.8 p90 -148.09 138.19 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.5 m -84.21 156.03 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -137.64 112.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -106.96 107.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -120.11 172.55 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 17' ' ' GLY . 15.0 tt0 -119.59 122.24 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -38.8 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . . . -71.19 -175.45 21.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.42 17.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -105.66 -15.03 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.586 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 96.23 34.13 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 88.65 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.85 56.77 10.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -124.43 101.98 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.975 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.29 75.32 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.3 mt -81.86 132.12 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.443 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.3 tt -132.41 160.92 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.6 OUTLIER -74.05 117.2 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -40.5 -28.15 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.1 mmt -72.27 -50.16 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -52.28 -42.55 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.549 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HG23 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -79.71 156.62 27.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.2 m170 -51.33 -20.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.956 HD12 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -37.69 -60.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.08 88.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.956 ' HB3' HD12 ' A' ' 33' ' ' LEU . . . -98.9 147.13 32.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.39 31.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.92 -176.69 20.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 5.0 mt -105.99 152.56 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -144.32 155.79 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.541 HD11 ' HG ' ' A' ' 55' ' ' LEU . 18.4 mt -70.46 112.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.8 tt0 -90.06 -37.79 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.98 170.72 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 31.3 mt -143.61 102.32 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 150.09 13.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.46 41.33 3.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 6.3 p -127.68 164.46 36.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.6 Cg_endo -74.94 -44.97 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.5 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -39.77 -52.8 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.83 -54.49 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.49 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 20.2 t70 -46.65 -60.4 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.74 -64.12 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.35 -60.35 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 12' ' ' VAL . 2.3 mp -40.53 114.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.9 m -124.23 164.73 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.59 140.17 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.76 -23.93 28.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -40.7 154.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 32.9 ttt180 -122.48 120.25 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.1 mm -78.7 150.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' LEU . 70.2 mt -123.66 -44.1 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -132.38 161.13 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.066 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.52 105.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.74 24.33 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.71 24.51 58.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 118.97 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -55.18 117.87 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.915 HD11 ' HB1' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -107.23 59.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -103.16 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.37 35.92 4.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.885 ' HB2' HD23 ' A' ' 69' ' ' LEU . 13.1 mt -104.35 133.91 48.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.94 157.91 53.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' HG12 ' A' ' 78' ' ' VAL . 27.3 t80 -58.03 -30.85 66.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 75' ' ' LEU . 15.1 mt -78.54 -25.0 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HD2' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -80.91 -41.19 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -67.15 -50.59 60.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 79' ' ' ASP . 14.6 p -52.33 -54.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.539 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -52.27 -53.54 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.8 mt -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.066 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -65.31 -41.77 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -55.81 -54.99 37.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' GLY . 35.0 m80 -92.68 35.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -38.63 -92.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.72 55.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 15.7 mmtt 68.58 -63.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' GLY . 12.8 mtmt -94.65 110.23 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -104.25 120.63 41.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -113.04 135.5 53.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.762 ' HD1' HG22 ' A' ' 64' ' ' VAL . 35.5 m-85 -133.19 135.36 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 27.2 tp -102.18 89.37 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.66 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -103.46 146.63 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.05 176.83 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 108.53 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.56 -178.05 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.21 178.28 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.53 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.74 -46.91 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.7 HG23 HD21 ' A' ' 33' ' ' LEU . 2.6 m -47.58 -45.28 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.574 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -60.87 -56.27 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -39.4 -64.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -42.31 -48.75 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.951 HG12 HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.0 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.574 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 23.7 m170 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 46.6 p90 -116.23 171.56 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.712 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.56 164.63 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 47.3 p90 -146.25 142.53 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.4 m -89.07 153.93 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -129.41 112.26 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 119.82 37.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 52' ' ' ASP . 3.4 mt -134.48 166.62 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -117.46 113.51 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 106.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.7 -175.33 23.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.62 18.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -90.01 -21.98 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.28 49.81 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.7 OUTLIER 74.79 -140.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 171.26 65.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.581 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.61 127.32 23.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 111.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.89 87.45 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -79.66 134.73 36.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.2 tt -121.08 154.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 37.1 t0 -70.75 117.38 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.19 -31.47 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -35.94 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.0 m170 -62.98 -37.48 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 103' ' ' ILE . 7.6 p -80.16 155.15 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -26.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tp -47.75 -38.53 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.0 30.11 45.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -119.79 153.49 54.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 167.55 13.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.2 mm? -107.59 130.12 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 12.3 m-85 -126.64 149.49 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.512 HD11 HD22 ' A' ' 55' ' ' LEU . 21.0 mt -68.13 122.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 4.4 tp-100 -107.13 -29.29 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -151.61 169.82 21.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 57' ' ' LEU . 4.7 mt -143.89 123.99 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -67.81 159.67 77.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -83.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.17 58.67 0.58 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.464 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 5.2 p -129.54 165.32 33.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.95 -36.12 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -63.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.15 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -57.97 -43.36 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.6 t70 -51.12 -55.82 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.86 -61.68 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.93 -56.3 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.581 HD13 ' SD ' ' A' ' 23' ' ' MET . 20.1 mt -39.94 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -114.88 159.15 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 43' ' ' LEU . 7.8 mt -68.6 131.46 45.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.76 -20.78 33.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' HB3' HG13 ' A' ' 92' ' ' VAL . 47.8 m-20 -45.77 163.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 21.6 ttt180 -133.44 126.28 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 92' ' ' VAL . 16.2 mm -81.87 137.1 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 93' ' ' ALA . 76.5 mt -112.85 -32.63 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -150.37 150.11 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -129.35 107.33 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 61.86 14.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 41.45 3.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.482 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -125.74 101.75 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.009 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -42.64 116.41 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.92 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -111.38 61.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -90.8 -82.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.26 35.67 4.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.777 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.0 mt -99.92 119.99 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.8 -176.99 5.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' HA ' HD21 ' A' ' 38' ' ' LEU . 4.8 t80 -65.37 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 6.1 mp -46.51 -29.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -75.21 -49.94 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.37 -56.36 7.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 4.3 p -40.07 -41.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.77 -51.72 67.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 67' ' ' SER . 96.7 mt -41.71 -57.65 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -61.92 -50.38 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -43.74 -56.06 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -92.24 35.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.71 -146.53 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.46 166.66 26.06 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.4 -36.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -108.71 109.03 20.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.763 ' HG3' HD21 ' A' ' 21' ' ' LEU . 77.9 mmm -90.5 119.39 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -114.85 128.93 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.754 ' HD1' HG22 ' A' ' 64' ' ' VAL . 28.0 m-85 -129.69 133.63 47.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.712 HD11 ' CG2' ' A' ' 9' ' ' VAL . 10.1 tp -94.2 89.28 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 59' ' ' ASP . 20.6 t -89.57 132.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -98.66 134.12 42.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -65.3 96.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -94.34 159.68 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.53 167.19 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.1 t -58.16 -39.44 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -49.1 -51.25 32.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -49.94 -33.03 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.93 -41.39 29.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -46.71 -50.05 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 6.0 mttt -64.72 -33.57 76.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 31' ' ' THR . 4.9 mm -66.84 -33.68 65.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -126.61 169.39 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.67 163.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.62 ' CE2' HG22 ' A' ' 92' ' ' VAL . 51.8 p90 -147.12 151.23 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 m -90.53 156.68 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.038 HG11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -140.8 115.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.33 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD21 HG12 ' A' ' 12' ' ' VAL . 3.1 mm? -107.36 157.89 17.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 16.7 tt0 -110.43 108.36 18.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -39.6 112.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.75 -168.84 45.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.24 21.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -115.68 -13.24 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 125.7 -118.11 3.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -138.87 13.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 36.98 64.95 0.61 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.404 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -137.36 101.13 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 0.721 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -78.45 73.84 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD22 HG12 ' A' ' 40' ' ' ILE . 9.5 mt -78.41 130.68 36.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -126.72 153.16 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' MET . 57.4 t0 -74.14 124.41 26.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.83 -27.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -66.77 -48.07 70.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.9 m-70 -51.9 -40.4 60.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.901 HG21 HD13 ' A' ' 103' ' ' ILE . 14.6 p -79.88 -179.09 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.7 -18.27 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tp -49.13 -24.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.73 31.29 1.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.56 152.19 78.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.16 43.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.7 162.38 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.4 mm? -97.51 142.04 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.5 m-85 -144.57 138.68 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 8.0 mt -58.66 133.61 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HB2' HG22 ' A' ' 26' ' ' ILE . 2.8 tt0 -116.48 -38.3 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.65 167.23 23.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -144.59 125.98 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -75.07 156.12 86.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.791 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.99 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.43 43.88 3.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.502 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 51.5 p -118.89 161.86 34.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.05 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -51.32 -31.93 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -48.72 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.17 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' LEU . 13.0 t70 -56.85 -49.74 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.67 -54.35 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.32 -56.74 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.05 HD23 ' HB1' ' A' ' 49' ' ' ALA . 1.6 mp -42.53 111.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -115.68 164.82 13.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.36 130.42 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.62 -22.83 31.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 4.7 m-20 -45.63 159.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.1 ttt180 -124.96 123.09 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 62' ' ' LEU . 19.7 mm -75.1 153.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 93' ' ' ALA . 44.1 mt -128.38 -44.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 79.3 mt-10 -131.87 161.68 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.009 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.17 103.56 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.15 12.37 7.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' HA2' ' NH1' ' A' ' 89' ' ' ARG . . . 99.37 23.32 11.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.803 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -59.42 118.92 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -106.78 60.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.1 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.03 23.82 18.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 HD22 ' A' ' 69' ' ' LEU . 9.4 mt -89.41 126.77 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.04 156.31 41.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.406 ' O ' HG12 ' A' ' 78' ' ' VAL . 8.9 t80 -54.1 -45.61 71.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 78' ' ' VAL . 4.7 mt -65.3 -26.68 68.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.5 mmt-85 -78.33 -45.13 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.95 -47.76 70.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -59.66 -44.64 93.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' CG ' ' CE1' ' A' ' 83' ' ' HIS . 3.6 t0 -56.47 -48.18 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.14 -54.4 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.009 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -64.14 -42.05 94.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -54.89 -57.95 9.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 79' ' ' ASP . 4.9 m80 -91.52 35.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.39 -140.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.9 173.37 32.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 13.7 mmmt -44.37 -37.39 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 114.97 28.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -115.47 120.05 38.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.7 ttm180 -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.75 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.0 m-85 -138.73 137.93 37.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.1 tp -103.4 91.45 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.62 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -100.56 135.59 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -90.93 145.73 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 95.94 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.05 -176.92 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -100.86 169.99 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ALA . 27.5 m -56.18 -48.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 97' ' ' VAL . 14.5 mt-10 -40.56 -55.84 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.46 -38.67 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -76.4 -37.71 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -48.33 -43.46 33.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -63.12 -34.5 77.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 31' ' ' THR . 1.3 mm -75.4 -21.7 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 p90 -130.66 151.47 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.3 t -100.12 160.18 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 92' ' ' VAL . 29.6 p90 -146.82 139.0 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 161.31 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.603 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -143.35 112.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -104.79 102.8 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.603 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.25 165.95 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' ARG . 17.5 tt0 -116.43 106.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.48 107.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.92 -168.89 43.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -7.92 19.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -107.25 -11.2 15.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 48.54 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.8 OUTLIER 80.14 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 163.47 86.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.462 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -148.78 101.4 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.88 64.13 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 61' ' ' ILE . 9.0 mt -73.0 131.6 42.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.528 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.9 tt -132.5 163.63 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.5 t70 -78.77 118.03 20.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -40.58 -27.82 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -70.49 -44.3 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.938 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.6 m170 -61.39 -40.09 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.594 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.644 HG21 HG23 ' A' ' 103' ' ' ILE . 1.7 p -78.94 152.77 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -39.69 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.954 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -41.52 -62.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 83.33 -10.32 59.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.954 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -82.62 149.62 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 122.62 158.58 10.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.02 137.8 31.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 37' ' ' GLY . 74.5 m-85 -138.93 152.0 47.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.642 HD11 HD22 ' A' ' 55' ' ' LEU . 5.0 mt -72.68 131.72 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -111.41 -38.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.65 150.74 33.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CA ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -116.57 102.14 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -43.38 155.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -78.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 56.74 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.492 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 4.0 p -129.8 160.21 66.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.03 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -54.53 -54.36 42.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.791 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -56.72 -60.21 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.77 -36.53 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD2' HG13 ' A' ' 12' ' ' VAL . 1.8 t70 -46.42 -33.31 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.42 -53.96 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -47.93 63.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.642 HD22 HD11 ' A' ' 40' ' ' ILE . 35.2 mt -55.45 104.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -104.51 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 43' ' ' LEU . 11.4 mt -78.09 127.96 33.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.8 -18.41 40.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -48.33 158.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 37.0 ttt180 -123.1 128.59 50.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.556 ' O ' HD23 ' A' ' 62' ' ' LEU . 10.0 mm -80.79 154.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 61' ' ' ILE . 29.7 mt -127.92 -46.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -132.51 160.8 35.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 81' ' ' ILE . 1.7 t -141.27 104.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 62.07 29.14 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 42.31 9.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.17 104.21 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -49.16 115.87 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -94.09 39.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -100.62 102.19 13.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.88 -17.46 54.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 80' ' ' LEU . 11.3 mt -66.6 117.46 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' TYR . . . -59.43 145.93 44.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.3 t80 -37.63 -48.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.48 -57.25 13.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 72' ' ' LEU . 11.8 mmt180 -52.64 -41.11 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.19 -42.84 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 74' ' ' TYR . 64.2 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 45.5 t0 -58.03 -35.83 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -62.44 -56.17 20.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -69.66 -7.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 32.0 ttt180 -88.38 -50.69 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -93.15 28.57 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.56 -140.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.08 -162.34 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -71.35 -28.39 64.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.08 108.39 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 21' ' ' LEU . 64.7 mmm -94.56 118.78 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -110.29 130.32 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' HD1' HG22 ' A' ' 64' ' ' VAL . 41.3 m-85 -129.28 131.83 47.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.5 tp -101.34 89.75 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.81 157.08 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -114.37 145.18 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 95.68 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.5 p -79.08 173.89 12.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.56 172.49 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.9 m -62.83 -49.38 83.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' N ' HG23 ' A' ' 97' ' ' VAL . 2.1 mt-10 -43.81 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -65.78 -51.36 59.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 104' ' ' HIS . 56.6 mttt -44.42 -47.99 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.86 -38.75 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 31' ' ' THR . 2.0 mm -72.27 -33.49 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' LYS . 9.7 m170 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 32.6 p90 -134.59 167.26 21.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.743 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.51 164.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CE1' HG22 ' A' ' 92' ' ' VAL . 32.5 p90 -147.81 147.3 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.4 m -87.76 154.98 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.98 114.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.34 104.75 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -115.8 170.72 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' ARG . 15.1 tt0 -119.28 115.97 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -37.67 123.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.96 -174.93 27.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.18 9.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -108.36 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.6 47.34 4.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mt 80.76 -52.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.7 52.6 9.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.721 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -115.62 101.96 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.02 68.89 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.721 HD21 ' SD ' ' A' ' 23' ' ' MET . 20.8 mt -76.44 132.97 39.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HD13 ' A' ' 38' ' ' LEU . 3.6 tt -128.34 159.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.31 131.7 40.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -59.36 -15.74 32.5 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.91 -41.32 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -67.08 -34.68 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -80.01 154.08 28.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -40.71 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 2.2 tp -40.44 -48.39 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 65.08 9.78 43.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.42 154.24 40.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.17 29.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 171.92 15.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.3 mm? -103.04 149.45 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CE2' ' CD2' ' A' ' 33' ' ' LEU . 6.9 m-85 -141.86 145.45 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 29.3 mt -66.3 122.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.5 tt0 -101.96 -37.15 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -147.9 178.07 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 49' ' ' ALA . 72.4 mt -144.49 101.74 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -45.38 142.22 3.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.05 152.99 41.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.01 19.4 7.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.17 171.24 6.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.043 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.526 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.0 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' HD22 ' A' ' 43' ' ' LEU . . . -63.44 -16.0 59.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.42 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HD21 ' A' ' 14' ' ' LEU . 7.9 t70 -52.29 -59.5 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.58 -60.7 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.22 -60.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 12' ' ' VAL . 1.5 mp -40.13 110.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.57 157.86 21.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.58 131.32 45.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.2 -24.87 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 92' ' ' VAL . 83.0 m-20 -42.02 150.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 19.0 ttt180 -120.48 118.83 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.3 mm -74.92 147.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 93' ' ' ALA . 55.6 mt -122.46 -42.68 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -132.53 156.37 46.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -139.99 111.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.36 18.99 9.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.94 44.83 4.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.96 121.68 9.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.872 HD11 ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -105.01 60.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' LEU . 94.7 mt -98.42 133.68 42.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.0 29.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.7 mt -91.45 120.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.88 -176.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.651 ' CE1' HG21 ' A' ' 78' ' ' VAL . 46.5 t80 -68.33 -66.17 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD12 ' HD1' ' A' ' 74' ' ' TYR . 10.0 mp -45.51 -44.32 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.489 ' HB3' HD22 ' A' ' 72' ' ' LEU . 17.4 mmt180 -53.85 -48.68 69.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.872 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -70.34 -34.34 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 74' ' ' TYR . 61.4 t -67.08 -40.34 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.36 -29.05 70.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 77' ' ' ALA . 87.3 mt -66.86 -56.62 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.029 HD11 HG21 ' A' ' 64' ' ' VAL . 3.2 mp -71.56 -13.4 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -71.5 -47.15 57.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -91.52 33.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . -126.68 104.31 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.73 164.48 21.11 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.33 -77.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 119.88 40.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -126.42 119.96 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -105.28 144.03 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.76 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.9 m-85 -142.51 135.6 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.743 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.3 tp -106.16 93.4 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.653 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.92 129.39 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -83.61 148.28 27.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -79.18 100.31 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.81 167.83 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -85.76 179.64 7.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.05 -40.24 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -45.37 -42.96 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -58.13 -44.51 87.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.01 86.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -47.92 -46.24 31.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -66.55 -32.74 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.72 -33.98 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 10.5 p90 -139.22 143.95 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.9 t -99.38 164.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CE1' HG22 ' A' ' 92' ' ' VAL . 35.1 p90 -149.3 141.97 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 m -90.83 153.18 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.96 118.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -109.14 103.27 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 55' ' ' LEU . 3.2 mm? -105.92 159.85 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -113.08 112.13 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -38.81 114.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.65 -165.67 41.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.45 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -113.18 -20.2 11.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.465 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 136.07 -107.57 0.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.7 OUTLIER -141.2 14.78 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 38.27 55.53 1.98 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.445 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.93 119.7 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.44 85.04 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -85.88 120.66 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.5 tt -124.59 160.02 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -78.8 157.78 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -84.1 23.83 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.35 -52.12 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 1.062 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -72.56 -31.91 65.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.595 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.062 HG23 ' CD2' ' A' ' 30' ' ' HIS . 7.8 p -79.53 148.69 31.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -40.77 -29.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 3.7 tp -38.63 -34.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.35 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -127.38 152.05 75.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.85 18.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 140.64 155.51 6.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.764 HD13 HD21 ' A' ' 69' ' ' LEU . 2.0 mp -93.8 155.31 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 61.1 m-85 -159.28 147.79 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 43' ' ' LEU . 15.3 mt -64.42 116.9 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.642 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -101.74 -35.39 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.27 159.91 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 40' ' ' ILE . 7.4 mt -145.65 116.84 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -65.25 151.63 93.52 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.848 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.01 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.22 52.03 4.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.516 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -129.99 171.29 9.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.988 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.73 -55.28 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -56.46 -44.19 80.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -51.98 -32.49 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -45.54 76.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -48.82 3.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.57 -55.67 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD13 ' HB1' ' A' ' 49' ' ' ALA . 6.7 mt -48.77 115.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 m -121.89 160.16 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 41' ' ' GLN . 6.5 mt -70.67 125.08 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.9 -6.53 31.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 21.1 m-20 -62.84 167.71 4.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.2 ttt180 -131.37 123.95 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.508 HD13 ' HB ' ' A' ' 92' ' ' VAL . 4.4 mm -81.21 146.92 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 91' ' ' LEU . 35.0 mt -120.69 -44.22 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -133.5 161.8 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.013 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -142.37 110.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.37 14.31 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.88 36.72 6.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.96 113.68 17.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 p -45.25 118.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 38' ' ' LEU . 1.2 tp -113.24 61.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.81 -84.08 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.6 41.58 3.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 76' ' ' ARG . 13.4 mt -103.9 130.27 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -65.38 150.34 51.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -52.58 -20.72 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 75' ' ' LEU . 12.2 mt -86.22 -24.97 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -84.55 -39.29 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -71.04 -44.16 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 79' ' ' ASP . 7.7 p -59.06 -47.9 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.6 t70 -55.83 -45.21 78.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.0 mt -49.63 -60.28 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.013 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -64.1 -48.98 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -48.78 -54.91 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -90.97 35.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.98 -142.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.43 178.87 33.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -38.06 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.7 113.68 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -112.55 120.41 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.05 147.46 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.767 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.6 m-85 -144.06 127.99 17.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 23.6 tp -98.23 88.73 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.606 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -102.75 156.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.45 156.88 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 96.7 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.33 169.43 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -179.96 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -74.34 -46.57 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.09 -47.96 11.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -51.98 -53.55 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -53.37 -53.84 45.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -40.13 -55.81 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 8.0 mttt -54.13 -42.93 70.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.6 mm -64.92 -40.12 87.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.5 m170 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.8 t -92.82 155.75 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 37.6 p90 -149.77 137.82 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 89' ' ' ARG . 72.9 m -85.7 155.64 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.81 112.39 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -102.91 117.17 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -128.97 177.58 7.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 12.9 tt0 -115.24 111.46 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -38.71 114.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.01 -171.95 25.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.55 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -121.48 28.23 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 72.91 42.94 43.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER 82.01 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' LEU . . . 130.02 67.06 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.487 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -135.96 130.57 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -97.69 84.62 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.75 137.88 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.4 tt -143.71 147.55 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.1 p30 -75.57 156.99 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.73 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -81.53 40.86 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mmt -103.85 -51.34 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 1.025 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -79.53 -28.05 41.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.605 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.025 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.5 p -79.14 156.34 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -49.42 -22.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.651 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.73 HD23 ' HA3' ' A' ' 28' ' ' GLY . 7.4 tp -38.28 -55.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.77 23.69 76.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -138.08 143.37 39.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.98 138.35 22.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 38' ' ' LEU . . . 159.34 -157.32 28.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.54 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 2.6 mm? -132.51 143.59 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.715 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 6.6 m-85 -160.66 145.89 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.732 HG21 ' CD2' ' A' ' 43' ' ' LEU . 16.3 mt -68.24 135.55 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.787 ' HB2' HG22 ' A' ' 26' ' ' ILE . 28.4 tt0 -109.6 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -152.62 152.23 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.732 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -121.19 91.68 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.603 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -40.09 149.88 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.39 52.22 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.5 p -129.52 158.24 73.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.602 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.89 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.656 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -60.95 -49.38 77.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.34 -38.26 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.1 t70 -47.58 -51.67 20.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.97 -44.12 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -62.27 -43.96 97.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.774 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG21 ' A' ' 92' ' ' VAL . 33.9 mt -56.1 103.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -101.79 165.41 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 43' ' ' LEU . 10.9 mt -79.4 125.21 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ASP . . . 107.07 -12.95 40.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 6.7 m-20 -46.52 172.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -133.38 117.18 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.02 136.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.889 HD11 ' HB2' ' A' ' 93' ' ' ALA . 53.5 mt -112.74 -34.91 5.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 14.3 mt-10 -145.23 160.47 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 81' ' ' ILE . 2.4 t -142.43 108.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER 75.66 -56.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.77 39.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 80' ' ' LEU . 2.7 t -133.46 110.99 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -56.5 121.24 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -98.37 47.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 mt -100.87 71.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.66 -17.97 10.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.6 mt -55.47 118.16 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -49.2 137.75 18.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.945 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.9 t80 -37.9 -51.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.75 -49.47 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CD ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.95 -51.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -58.75 -49.22 78.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 74' ' ' TYR . 58.5 t -47.27 -41.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' LEU . 16.7 t70 -57.91 -55.9 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 67' ' ' SER . 0.8 OUTLIER -38.96 -65.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 64' ' ' VAL . 3.0 mp -58.55 -53.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 83' ' ' HIS . 14.7 ttt180 -44.32 -56.0 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.6 m170 -95.17 36.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -59.68 -144.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.68 34.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 22.9 mttt -41.5 -37.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -109.31 109.39 20.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.609 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -100.99 119.52 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 11' ' ' THR . 31.5 ttm180 -112.72 141.47 46.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.782 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.5 m-85 -140.25 134.12 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 63' ' ' GLU . 33.1 tp -96.93 90.99 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 t -88.83 150.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.889 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -118.98 143.18 47.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 95.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -86.75 169.47 12.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -87.21 173.79 9.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.551 HG12 ' CD ' ' A' ' 101' ' ' LYS . 69.9 t -67.86 -49.53 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.04 -55.54 3.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -38.32 -58.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -54.91 -53.54 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' CD ' HG12 ' A' ' 97' ' ' VAL . 17.3 mtpt -44.85 -47.08 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 17.7 mttt -59.26 -37.67 78.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.9 mm -70.1 -30.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 18.9 m170 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 16.3 p90 -124.73 142.3 51.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 92' ' ' VAL . 49.4 t -93.86 154.62 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 33.2 p90 -142.84 138.1 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 m -84.55 162.5 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.031 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -142.54 111.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.93 116.98 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.1 mt -128.88 170.69 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.41 124.56 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.01 107.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.6 -176.76 16.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -102.73 -18.54 15.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.07 46.04 2.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.07 -156.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.97 55.18 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.744 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -116.91 101.33 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 111.048 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.12 69.71 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.744 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.4 mt -74.92 154.98 37.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB2' ' A' ' 41' ' ' GLN . 4.3 tt -149.87 154.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' MET . 33.6 t0 -73.97 120.4 19.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.8 -29.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.6 mmm -63.74 -49.35 73.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.5 m170 -56.27 -33.09 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.543 HG21 HD13 ' A' ' 103' ' ' ILE . 21.5 p -86.03 171.66 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -16.41 62.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HD2' ' A' ' 102' ' ' LYS . 2.3 tp -50.22 -29.38 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.08 25.59 1.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -127.78 145.96 56.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -74.97 134.86 18.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.62 27.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.38 140.33 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 24.7 m-85 -150.89 169.62 21.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 25' ' ' LEU . 53.0 mt -93.22 130.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' HD13 ' A' ' 57' ' ' LEU . 3.3 tt0 -108.29 -37.67 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -148.02 175.5 10.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 55' ' ' LEU . 19.6 mt -140.75 98.03 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -44.34 141.96 2.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.99 148.53 35.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.56 12.73 34.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 p -93.06 170.33 8.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.617 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -39.06 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 23' ' ' MET . . . -61.29 -17.35 53.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.45 -43.58 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.2 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 12.4 t70 -60.4 -57.37 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.24 -59.4 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.86 -56.22 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.031 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.34 114.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -117.55 179.81 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 41' ' ' GLN . 9.7 mt -89.23 130.53 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.83 -18.08 44.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' HB2' HD12 ' A' ' 40' ' ' ILE . 45.6 m-20 -44.27 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HD3' HD21 ' A' ' 62' ' ' LEU . 20.3 ttt180 -134.65 119.99 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.5 mm -76.83 129.37 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.524 HD21 ' HD3' ' A' ' 60' ' ' ARG . 49.8 mt -107.14 -36.99 6.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -136.03 161.32 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -144.87 113.74 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 56.78 33.04 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 26.72 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -119.73 104.53 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.027 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' SER . 43.2 m -38.4 118.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -94.23 44.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.4 mt -102.64 115.76 31.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 105.06 -56.94 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.572 ' HB2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -39.02 114.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.07 -142.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.579 1.174 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 64.8 t80 -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 75' ' ' LEU . 6.7 mt -89.04 -37.09 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -58.05 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -53.22 -49.92 65.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 5.4 p -60.82 -42.63 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.79 -39.5 77.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.5 mt -59.01 -57.32 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.073 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -64.8 -36.3 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HG2' ' CD2' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -63.68 -51.23 65.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 59.1 m170 -90.89 35.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.66 -144.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.94 62.05 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 -78.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -67.09 107.53 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 71.0 mmm -114.38 120.22 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -117.33 143.47 45.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CD1' HG22 ' A' ' 64' ' ' VAL . 15.7 m-85 -142.38 138.84 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.85 90.02 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 t -87.7 150.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.61 144.86 47.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.7 96.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.34 173.75 8.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.9 166.28 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.3 m -61.6 -50.76 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.482 ' N ' HG23 ' A' ' 97' ' ' VAL . 43.7 mm-40 -40.94 -58.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -40.91 -44.15 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.728 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -73.67 -39.92 64.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' GLU . 39.6 mttt -48.04 -38.33 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' HD12 ' A' ' 33' ' ' LEU . 13.6 mttt -74.03 -33.26 63.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -73.96 -31.34 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.728 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 9.9 p80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 27.3 p90 -101.14 138.46 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.1 t -92.35 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.1 p90 -142.8 138.88 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -83.89 162.3 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -142.13 112.72 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.36 103.12 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -109.22 158.49 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -112.13 110.44 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -38.85 106.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.95 -171.65 31.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.32 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -114.27 -6.01 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 86.49 48.32 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.559 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 83.32 -137.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 169.68 75.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -144.31 122.81 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.71 78.37 0.91 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.55 149.15 47.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 4.4 tt -143.37 153.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' HA ' HD23 ' A' ' 38' ' ' LEU . 3.3 p-10 -76.61 123.86 26.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.18 -22.9 2.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -27.89 62.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -78.46 -38.13 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HD13 ' A' ' 103' ' ' ILE . 5.2 p -79.85 151.04 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLY . 4.3 m80 -39.61 -35.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -39.77 -32.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 46.03 24.78 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -111.53 155.31 43.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.35 30.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.6 172.8 13.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 27.2 mt -113.33 145.96 40.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 9.9 m-85 -143.83 161.84 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.433 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.3 mt -75.55 123.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 3.8 tt0 -104.32 -31.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -153.2 166.14 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.2 mt -143.0 123.86 14.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.766 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -64.63 159.14 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.766 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -70.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.3 4.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 3.8 p -128.98 162.7 50.39 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.809 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.474 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -74.96 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -60.17 -24.11 64.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -94.4 -32.6 13.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.32 71.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -59.47 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 108.11 -53.15 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -38.42 -49.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -58.68 112.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 135.64 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -40.42 133.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.46 34.79 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 16.5 m-20 -74.62 157.61 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 16.5 ttt180 -126.35 119.9 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.691 HD13 ' HB ' ' A' ' 92' ' ' VAL . 13.0 mm -77.94 146.9 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.8 mt -118.27 -48.18 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -128.92 163.68 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -144.72 106.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.408 ' ND2' ' HA2' ' A' ' 84' ' ' GLY . 15.5 m-20 62.75 25.26 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.79 30.38 35.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.8 103.57 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -46.86 120.68 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -105.23 44.47 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.53 83.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.88 -16.31 10.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 76' ' ' ARG . 6.9 mt -67.83 124.15 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.51 160.87 3.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 1.038 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.0 t80 -55.39 -47.74 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.37 -52.54 63.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.4 mmt180 -50.26 -37.68 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.904 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -72.78 -49.32 31.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 74' ' ' TYR . 44.5 t -51.29 -47.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.24 -50.0 75.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 72' ' ' LEU . 22.2 mt -46.18 -50.82 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.823 HD11 HG21 ' A' ' 64' ' ' VAL . 1.8 mp -68.0 -42.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -52.06 -55.2 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -92.61 35.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.63 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' ND2' ' A' ' 65' ' ' ASN . . . -37.55 -91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.03 54.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 71.46 -63.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -97.79 111.84 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.25 133.9 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.71 ' HD1' HG22 ' A' ' 64' ' ' VAL . 38.5 m-85 -131.69 133.99 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 tp -104.26 89.52 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.691 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -103.45 156.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.26 157.58 18.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 96.06 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.11 178.89 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.1 160.69 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 98' ' ' GLU . 7.5 p -52.06 -57.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.573 ' N ' HG13 ' A' ' 97' ' ' VAL . 11.5 mt-10 -42.76 -57.66 2.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.532 HG23 HD11 ' A' ' 33' ' ' LEU . 1.3 m -45.03 -35.06 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 97' ' ' VAL . . . -73.41 -42.03 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 98' ' ' GLU . 20.9 mttt -45.65 -51.75 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 4.3 mttt -56.1 -40.61 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.502 HD13 HG21 ' A' ' 31' ' ' THR . 2.0 mm -63.9 -17.53 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 5.1 p90 -130.67 155.72 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.1 t -103.37 163.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.2 p90 -147.4 137.92 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -83.88 159.9 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -138.51 111.79 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -104.22 108.51 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.847 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.3 mt -122.18 174.06 7.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.6 tt0 -126.23 112.82 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -37.96 108.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 -173.06 48.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.87 8.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -110.3 -22.38 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 46.15 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 77.73 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 44' ' ' LEU . . . 74.53 63.6 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.75 104.7 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.781 . . . . 0.0 111.004 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.33 73.03 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 40' ' ' ILE . 12.3 mt -83.32 129.44 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tt -125.93 158.21 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -73.53 120.57 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.541 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -41.96 -29.69 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.95 -42.83 80.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.1 m-70 -61.05 -38.64 86.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 p -81.26 155.77 25.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -44.27 -30.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.565 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.3 tp -40.02 -41.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 14.22 31.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.6 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -105.83 155.03 38.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.43 40.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.09 170.82 25.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.2 mm? -100.57 148.55 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 19.9 m-85 -143.24 148.51 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.576 HG21 ' CD2' ' A' ' 43' ' ' LEU . 7.3 mt -70.96 128.99 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -113.21 -29.46 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -114.41 136.12 53.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.14 137.73 37.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.46 39.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 15.88 23.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.4 p -97.33 166.61 13.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.588 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 -36.01 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.63 -62.56 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.792 ' HB2' HD12 ' A' ' 43' ' ' LEU . . . -58.44 -47.49 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 47' ' ' SER . . . -44.32 -46.42 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB2' HD21 ' A' ' 14' ' ' LEU . 24.6 t70 -46.85 -40.2 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . 87.53 -55.51 4.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.09 -41.21 16.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -66.51 105.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -126.42 143.41 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -44.49 137.25 3.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.28 -24.57 28.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' HB3' HG21 ' A' ' 92' ' ' VAL . 5.9 m-20 -53.38 153.74 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 24.9 ttt180 -124.58 122.8 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.593 HD13 ' HB ' ' A' ' 92' ' ' VAL . 11.2 mm -79.35 151.5 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 56.8 mt -123.46 -46.9 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -131.78 158.47 41.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.041 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -141.09 111.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.32 12.89 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.72 37.31 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.97 112.06 15.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -51.84 117.92 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -93.65 31.52 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.1 mt -94.4 99.86 11.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.97 -32.43 7.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 69' ' ' LEU . 13.5 mt -51.51 127.1 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.47 -161.95 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.63 -33.88 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.498 ' HA ' HG12 ' A' ' 78' ' ' VAL . 13.3 mt -78.46 -22.96 46.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' HB3' HD22 ' A' ' 72' ' ' LEU . 13.2 mmt-85 -83.11 -43.85 15.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.48 -44.29 75.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -61.02 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 78' ' ' VAL . 9.7 t70 -57.29 -42.91 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 72' ' ' LEU . 25.3 mt -51.83 -58.76 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -65.61 -48.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -50.37 -53.76 26.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.06 35.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.75 -141.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.03 32.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 10.8 mttm -45.46 -37.91 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -108.96 116.64 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.56 120.1 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -109.17 133.86 52.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.775 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.3 m-85 -131.48 135.84 47.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.3 tp -106.69 90.23 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.24 149.24 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.49 173.52 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -88.7 97.39 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -84.87 176.42 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -122.08 178.81 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 98' ' ' GLU . 34.1 m -60.38 -52.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -41.32 -51.93 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -53.03 -41.01 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -43.91 -44.59 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.564 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.3 mttt -72.48 -38.37 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.427 HG23 ' OE1' ' A' ' 41' ' ' GLN . 1.6 mm -64.14 -24.88 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.7 m170 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 9' ' ' VAL . 2.5 t80 -131.27 161.0 33.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 92' ' ' VAL . 37.7 t -130.68 151.05 35.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 36.5 p90 -141.46 137.87 32.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -85.37 158.42 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -140.04 120.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -109.95 102.67 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD11 ' OD1' ' A' ' 52' ' ' ASP . 3.1 mm? -106.3 158.22 17.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -102.27 105.45 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.92 126.75 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.36 -175.07 31.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.22 21.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -112.44 -24.06 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 145.77 -116.04 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER -141.26 14.55 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 47.45 59.05 6.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.406 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -136.51 100.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -69.44 70.36 0.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 ' SD ' ' A' ' 23' ' ' MET . 18.2 mt -77.13 135.29 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -129.4 155.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' HIS . 49.9 t0 -72.3 116.93 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.07 0.3 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.95 -47.69 79.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -54.61 -40.41 68.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.586 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -79.91 149.72 30.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.2 t60 -39.04 -32.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.64 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tp -41.13 -29.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 42.92 26.25 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -113.76 151.77 44.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.1 25.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 125.45 165.07 11.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -100.09 150.87 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.6 m-85 -150.89 145.95 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.692 HD11 HD22 ' A' ' 55' ' ' LEU . 30.9 mt -63.11 142.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -124.52 -40.97 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.12 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD12 ' CA ' ' A' ' 50' ' ' ALA . 2.3 mm? -119.27 111.62 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -61.92 141.45 95.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 144.53 30.42 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.01 13.58 59.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.493 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -93.6 172.22 6.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.64 -45.87 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.772 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -61.04 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.07 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.51 ' OD1' HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -47.25 -53.84 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.2 -62.4 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -44.65 -41.03 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.773 HD13 ' HB1' ' A' ' 49' ' ' ALA . 34.9 mt -58.93 108.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.1 m -104.36 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.726 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.3 mt -77.84 126.54 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.44 -14.67 39.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.508 ' HB3' HG13 ' A' ' 92' ' ' VAL . 85.1 m-20 -45.89 167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.3 ttt180 -135.45 134.95 40.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.464 ' O ' HD23 ' A' ' 62' ' ' LEU . 13.5 mm -87.29 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 93' ' ' ALA . 21.7 mt -119.54 -40.76 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' OE1' HD22 ' A' ' 91' ' ' LEU . 83.3 mt-10 -138.5 161.4 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -150.28 113.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.28 15.26 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.72 19.83 50.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.9 102.79 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -39.41 111.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.88 63.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' GLY . 40.8 mt -84.36 98.89 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' LEU . . . 33.81 55.92 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.779 HD11 ' CB ' ' A' ' 76' ' ' ARG . 0.2 OUTLIER -84.18 154.18 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.7 ' H ' HD12 ' A' ' 72' ' ' LEU . . . -31.94 125.07 0.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' O ' HG12 ' A' ' 78' ' ' VAL . 65.7 t80 -47.25 -44.99 23.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 75' ' ' LEU . 6.0 mt -68.29 -23.33 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.779 ' CB ' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.53 -55.92 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.672 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -55.52 -42.06 74.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 74' ' ' TYR . 9.8 p -62.89 -46.79 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 78' ' ' VAL . 11.5 t70 -54.33 -54.49 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 80' ' ' LEU . 12.9 mt -41.11 -62.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.623 HD11 HG21 ' A' ' 64' ' ' VAL . 1.7 mp -61.42 -53.98 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -53.27 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -91.48 36.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -129.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -172.02 169.44 42.53 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' GLY . 67.3 mttt -40.33 -36.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 113.72 24.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -111.38 129.28 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.695 HH21 HD13 ' A' ' 91' ' ' LEU . 2.1 tmt_? -116.22 144.73 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CD1' HG22 ' A' ' 64' ' ' VAL . 38.1 m-85 -144.58 124.93 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.695 HD13 HH21 ' A' ' 89' ' ' ARG . 15.4 tp -88.29 92.18 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.2 t -88.26 153.23 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.68 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.92 134.18 54.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 95.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -176.89 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.74 155.52 17.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 98' ' ' GLU . 19.2 m -44.32 -47.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 97' ' ' VAL . 33.3 mt-10 -40.26 -61.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.42 -47.52 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.55 -44.58 77.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -47.01 -57.07 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -57.86 -35.31 70.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -66.8 -39.04 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 33.5 p90 -110.89 168.9 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.66 162.52 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.632 ' CE1' HG22 ' A' ' 92' ' ' VAL . 33.8 p90 -145.9 149.25 33.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.7 m -90.96 158.09 16.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -140.87 111.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.08 113.51 26.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -124.55 170.48 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.07 119.0 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 111.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.32 -175.93 37.8 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.52 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -101.64 -23.57 14.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.22 1.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.582 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.6 OUTLIER 75.14 -140.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 174.55 78.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.2 mtm -150.54 128.49 11.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -96.21 78.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -76.93 155.55 32.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.6 tt -164.2 147.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 55.0 p30 -71.45 155.94 40.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -83.74 37.3 2.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 36' ' ' PRO . 54.0 mmm -102.59 -51.83 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 1.063 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -76.0 -28.9 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.063 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.9 p -80.07 158.06 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.14 -23.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD23 ' HA3' ' A' ' 28' ' ' GLY . 6.4 tp -39.47 -59.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.97 16.62 79.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -131.0 142.35 45.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 18.2 Cg_endo -74.99 131.76 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.563 1.822 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . 168.29 -160.53 34.09 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -129.76 140.21 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 4.9 m-85 -159.25 159.41 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 36.5 mt -82.1 139.54 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -116.02 -39.78 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.417 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -147.48 164.51 33.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 50' ' ' ALA . 3.2 mm? -123.42 99.36 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -40.17 142.52 0.71 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 158.39 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.14 27.3 0.64 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -101.66 171.13 5.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.048 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -52.72 -58.0 8.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 43' ' ' LEU . . . -52.45 -41.54 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.23 77.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB2' HD21 ' A' ' 14' ' ' LEU . 19.1 t70 -47.21 -38.91 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -55.02 4.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.4 -48.3 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 40' ' ' ILE . 23.3 mt -55.79 104.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -101.4 169.6 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.793 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.0 mt -82.18 132.98 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.18 -23.49 33.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 99.0 m-20 -43.33 159.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 ttt180 -122.07 122.32 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 mm -77.18 146.68 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 93' ' ' ALA . 41.6 mt -121.65 -45.27 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 91' ' ' LEU . 41.0 mt-10 -130.97 162.17 30.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -144.62 105.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.95 18.8 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.67 33.02 28.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 102.08 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 m -38.94 127.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 HD12 ' A' ' 80' ' ' LEU . 10.5 mt -116.75 36.25 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.6 mt -92.87 108.57 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.66 -25.67 22.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 69' ' ' LEU . 8.6 mt -67.15 135.43 53.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.99 149.28 51.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 10.0 t80 -42.66 -50.84 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.6 -57.42 11.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.3 mmt-85 -52.07 -38.34 56.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 69' ' ' LEU . . . -69.51 -38.89 77.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 79.5 t -57.18 -53.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 11.2 t70 -47.08 -50.37 19.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.988 HD12 HD21 ' A' ' 69' ' ' LEU . 14.4 mt -48.86 -58.1 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.95 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -60.07 -42.49 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 78' ' ' VAL . 1.5 mmp_? -54.43 -57.86 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' ND1' ' OD1' ' A' ' 79' ' ' ASP . 26.5 m80 -91.3 36.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -36.63 -92.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.49 58.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp 68.25 -64.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.1 mttp -93.72 111.48 23.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.59 119.56 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.3 ttt180 -113.34 150.43 32.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.759 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.3 m-85 -148.62 128.95 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 9' ' ' VAL . 20.9 tp -99.12 92.84 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.95 139.43 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -95.44 141.89 28.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.21 95.72 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 167.12 11.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.94 169.53 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.68 -38.1 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.6 mt-10 -46.79 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLU . 1.9 m -38.69 -39.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -77.56 -45.45 25.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' GLU . 7.8 mttm -39.77 -49.76 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 1.1 mttt -61.88 -45.65 92.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -62.17 -29.05 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' ALA . 55.0 m170 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 94' ' ' LYS . 14.0 p90 -108.89 140.45 42.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG11 HD12 ' A' ' 62' ' ' LEU . 39.6 t -94.6 158.97 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 34.4 p90 -148.07 138.33 22.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -85.2 162.8 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.856 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -139.93 111.19 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -107.13 108.15 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -116.53 171.04 8.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.43 117.78 32.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LYS . 2.5 ttt180 -40.78 120.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.42 -173.72 33.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 m -96.23 -14.07 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.1 41.36 6.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 86.77 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 55.54 22.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.092 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.786 ' SD ' HD21 ' A' ' 25' ' ' LEU . 1.2 ttm -120.37 101.83 8.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -68.69 66.75 0.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.786 HD21 ' SD ' ' A' ' 23' ' ' MET . 17.7 mt -71.39 144.9 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.5 tt -144.16 152.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.6 t0 -72.57 126.02 28.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.38 -27.42 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 35' ' ' ALA . 15.4 mmm -70.83 -44.88 65.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ASP . 11.2 m170 -61.03 -13.57 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 p -107.34 159.79 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -54.49 -20.23 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 35' ' ' ALA . 2.1 tp -44.69 -35.82 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.04 23.46 31.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -125.18 146.97 55.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.527 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 152.97 177.02 26.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.595 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 3.9 mm? -113.54 141.73 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 7.9 m-85 -149.05 159.05 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 25' ' ' LEU . 63.3 mt -82.44 121.84 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -95.87 -31.65 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -153.57 165.47 35.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.756 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.5 mt -143.09 130.22 20.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.55 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -78.09 156.27 79.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.24 49.64 4.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 p -128.95 160.41 63.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.04 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.7 -21.71 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.32 -32.57 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.17 -42.24 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.775 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.0 t70 -55.11 -60.4 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.61 -52.73 0.62 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.11 -45.45 22.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.285 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.856 ' CD1' HG11 ' A' ' 12' ' ' VAL . 1.5 mp -55.76 108.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -133.74 142.6 48.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.756 ' CD1' HD12 ' A' ' 43' ' ' LEU . 1.4 mp -44.47 125.54 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.7 -12.65 20.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.585 ' OD2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -52.23 164.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -132.47 112.02 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -76.72 127.64 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 93' ' ' ALA . 30.1 mt -109.91 -32.12 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -145.28 159.08 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.03 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -140.13 109.92 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.43 19.02 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.93 21.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 126.3 52.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 p -57.42 131.13 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 77' ' ' ALA . 11.9 mt -123.66 54.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.27 -68.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.23 12.66 67.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 76' ' ' ARG . 8.0 mt -92.21 117.87 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.83 -166.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 78' ' ' VAL . 79.3 t80 -75.48 -67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 74' ' ' TYR . 7.5 mp -45.87 -44.63 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.686 ' HB3' HD22 ' A' ' 72' ' ' LEU . 21.1 mmt180 -54.75 -43.82 73.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -78.62 -32.29 47.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 74' ' ' TYR . 56.6 t -66.32 -46.79 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.78 -33.79 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -61.55 -54.01 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.03 HD11 HG21 ' A' ' 64' ' ' VAL . 2.0 mp -67.51 -27.99 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.19 -55.12 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.55 35.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.49 -135.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -158.5 -176.59 30.72 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.4 mttm -39.31 -47.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 134.21 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.854 ' HG3' HD21 ' A' ' 21' ' ' LEU . 2.0 mtp -107.09 128.28 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -103.54 138.93 39.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.678 ' HD1' HG22 ' A' ' 64' ' ' VAL . 29.2 m-85 -138.84 137.35 36.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.5 tp -96.06 89.15 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' OD2' ' A' ' 59' ' ' ASP . 35.7 t -89.06 157.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.43 167.15 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.45 95.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.6 m -82.18 167.56 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.16 167.71 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.1 m -60.81 -51.3 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.492 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.11 -49.63 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -49.96 -43.79 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.34 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -46.78 -55.15 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.68 -39.19 73.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.3 mm -63.37 -36.67 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.584 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.93 -58.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t 62.5 156.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 -172.16 37.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 m 67.08 143.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 0.719 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -72.06 174.55 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.58 -122.74 2.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.092 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -120.39 153.53 36.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 0.802 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 92' ' ' VAL . 50.7 t -105.86 154.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.621 ' CE1' HG22 ' A' ' 92' ' ' VAL . 29.1 p90 -139.85 138.86 36.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.1 m -83.29 162.39 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.611 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -140.77 111.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 16.9 mt-10 -106.57 111.75 24.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -125.93 170.97 11.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.35 115.22 24.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -38.68 105.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.84 -174.06 12.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.12 20.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -2.7 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 81.53 48.39 5.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 81.39 -137.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.746 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 165.67 65.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.94 101.1 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 0.794 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -71.51 73.3 0.77 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.666 HD13 HG13 ' A' ' 61' ' ' ILE . 9.5 mt -79.85 142.06 35.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -137.84 153.63 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.3 p-10 -70.9 122.78 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.62 -28.76 2.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.42 -33.63 76.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -73.73 -37.23 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.514 HG21 HD13 ' A' ' 103' ' ' ILE . 29.3 p -81.37 155.67 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -42.56 -34.89 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -40.36 -37.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.34 20.61 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.83 154.25 42.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.42 163.7 13.04 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 mm? -93.36 154.51 17.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 67.1 m-85 -151.45 148.43 28.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 59' ' ' ASP . 17.5 mt -69.65 130.68 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 6.5 tt0 -111.68 -42.28 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.71 174.04 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 55' ' ' LEU . 10.5 mt -144.6 93.71 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.713 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -41.17 151.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -58.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.14 51.13 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.479 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 36.1 p -128.96 158.68 71.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.4 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -35.5 3.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.048 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.97 -40.61 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LEU . . . -77.53 -47.61 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.96 -24.62 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' HB2' HD21 ' A' ' 14' ' ' LEU . 10.8 t70 -63.57 -55.55 22.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.15 -58.22 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.571 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -43.17 -57.89 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.611 ' CD1' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -43.73 113.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 p -114.14 155.36 26.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.09 130.15 42.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.06 -24.56 30.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.647 ' HB2' HD12 ' A' ' 40' ' ' ILE . 54.7 m-20 -40.44 155.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 26.5 ttt180 -122.53 124.79 44.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.666 HG13 HD13 ' A' ' 25' ' ' LEU . 12.4 mm -78.83 154.43 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 61' ' ' ILE . 36.1 mt -128.48 -46.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -129.97 160.85 32.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.978 HG21 HD11 ' A' ' 81' ' ' ILE . 1.9 t -144.57 108.13 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 58.78 36.95 25.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.59 64.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.45 106.26 12.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -52.12 125.5 15.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -104.79 46.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.66 85.64 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.84 -20.9 16.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.7 mt -59.83 117.47 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.62 17.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 1.026 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.1 t80 -39.86 -47.1 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.89 -54.35 48.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -49.91 -48.13 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.41 -52.95 63.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 74' ' ' TYR . 37.9 t -53.45 -42.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.69 -51.03 71.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt -46.27 -59.49 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.978 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -59.19 -43.1 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -55.06 -56.62 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.35 35.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.638 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.95 -144.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.03 178.15 28.61 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -49.95 -36.08 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -112.75 111.19 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -103.35 122.52 45.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 9.3 mtt180 -111.71 138.44 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.67 ' HD1' HG22 ' A' ' 64' ' ' VAL . 49.4 m-85 -139.18 137.81 36.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LEU . 19.4 tp -109.05 92.41 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -103.55 155.8 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -112.8 137.12 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HG3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -66.7 97.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.6 m -86.9 174.27 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.65 179.44 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.402 HG12 ' HD2' ' A' ' 101' ' ' LYS . 78.6 t -71.17 -51.73 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.58 -44.76 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -51.8 -44.3 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -69.37 -43.35 73.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 97' ' ' VAL . 5.9 mttm -43.7 -52.1 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -57.04 -38.26 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.514 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -68.0 -40.87 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.672 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 22.3 p80 -129.66 96.93 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.647 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.79 91.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -81.75 -169.0 42.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.57 18.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m 59.72 113.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.952 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 t -53.74 119.23 4.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -155.9 -58.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -176.1 165.55 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.6 146.42 5.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.31 167.76 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.91 163.33 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.35 66.61 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -126.81 159.0 35.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.549 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 47.8 t -124.86 162.83 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.6 p90 -145.06 138.19 26.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -86.3 151.87 23.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.921 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -130.77 111.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -111.09 106.66 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -116.91 173.42 6.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -121.26 122.11 39.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -38.3 137.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.42 -171.05 22.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.54 18.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -115.42 -7.35 12.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 85.39 49.58 4.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.55 -135.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 166.85 73.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.428 ' HG3' ' HB1' ' A' ' 49' ' ' ALA . 0.7 OUTLIER -145.11 117.34 8.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -93.71 79.6 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -71.13 143.31 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 tt -136.19 160.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.1 t70 -84.09 122.07 28.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.96 -27.32 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.1 mmt -69.69 -40.58 76.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.3 m170 -67.16 -32.52 73.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 103' ' ' ILE . 17.8 p -81.96 158.09 24.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -30.38 2.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.8 tp -44.96 -47.27 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.93 24.51 68.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.699 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -112.98 152.0 44.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.38 17.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.466 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 136.56 164.9 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.3 mm? -103.91 146.94 27.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 27.6 m-85 -148.17 160.42 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt -75.04 123.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 8.4 tt0 -100.92 -41.22 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.98 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -144.59 100.34 3.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -48.31 154.87 1.01 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -73.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.0 55.39 2.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.478 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 91.2 p -129.64 160.52 64.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -75.01 -36.37 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -56.26 -40.98 75.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.43 -49.86 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.34 -36.79 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.629 ' HB2' HD21 ' A' ' 14' ' ' LEU . 40.7 t0 -52.42 -60.26 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.57 -62.45 0.36 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.26 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.921 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.06 115.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.5 m -126.78 161.53 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.11 132.03 45.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.96 -24.33 28.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 41.5 m-20 -43.26 154.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.546 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.6 ttt180 -121.18 117.03 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' HD23 ' A' ' 62' ' ' LEU . 4.2 mm -76.04 150.88 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 61' ' ' ILE . 40.6 mt -125.67 -44.16 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.57 163.4 28.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.055 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.15 110.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 60.67 30.36 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.5 40.05 33.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.14 110.65 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 72' ' ' LEU . 96.8 p -41.18 124.18 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.737 HD11 ' HA ' ' A' ' 77' ' ' ALA . 7.8 tp -103.96 -47.23 4.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 60' ' ' ARG . 4.2 mt -43.13 110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.08 -52.01 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.806 HD22 ' CB ' ' A' ' 76' ' ' ARG . 1.7 mt -43.05 126.55 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.44 138.37 7.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 t80 -38.02 -50.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.42 -58.32 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.806 ' CB ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -46.78 -44.03 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -61.98 -43.67 98.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 74' ' ' TYR . 59.7 t -64.08 -49.54 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -45.95 64.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.98 -56.07 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.055 HD11 HG21 ' A' ' 64' ' ' VAL . 2.5 mp -66.13 -45.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -43.8 -51.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -91.35 35.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.552 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.56 104.79 1.01 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . -131.54 177.09 18.82 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 64.57 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' GLY . 8.4 mtmt -117.23 117.42 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.524 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -119.54 119.94 35.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -115.43 144.83 43.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.0 m-85 -144.39 139.11 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.7 tp -103.31 90.04 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -105.44 135.13 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.36 -178.9 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD3' ' NH2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -86.07 99.14 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 167.24 18.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.62 157.21 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 98' ' ' GLU . 9.1 p -49.12 -57.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' N ' HG13 ' A' ' 97' ' ' VAL . 2.7 mm-40 -45.64 -57.21 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -47.69 -47.42 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.53 81.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -45.01 -53.56 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.67 -40.32 75.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.517 HD13 HG21 ' A' ' 31' ' ' THR . 2.6 mm -65.34 -27.78 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.41 140.01 29.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.68 128.11 52.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.22 123.07 6.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.3 p -83.88 126.44 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.29 115.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m 63.31 126.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -95.64 -57.33 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.45 148.17 22.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.42 172.56 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -95.32 131.22 41.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.79 135.6 8.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' CE1' ' HG2' ' A' ' 94' ' ' LYS . 10.2 p90 -137.74 168.08 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 0.728 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.718 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.21 164.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 33.4 p90 -147.64 140.23 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.1 m -87.43 154.82 20.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -134.01 111.95 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.92 108.31 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -118.97 177.99 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' ARG . 13.7 tt0 -119.1 116.11 25.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' CZ ' ' O ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -38.33 101.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.55 -175.33 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -20.08 17.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.58 -11.45 17.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.054 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 51.16 1.01 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.531 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER 77.86 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -162.29 59.17 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.09 117.73 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 111.033 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.78 83.33 1.02 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -70.61 142.53 51.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.6 tt -124.64 154.28 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 34.7 t0 -76.08 121.12 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.41 -31.91 14.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.21 -19.03 63.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 35.8 m170 -86.03 -34.69 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 103' ' ' ILE . 2.0 p -80.19 152.53 29.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.18 -26.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.587 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 35' ' ' ALA . 7.0 tp -47.58 -37.01 11.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.61 28.41 45.48 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -116.82 152.33 48.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.63 25.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.89 159.96 10.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 8.7 mt -99.32 146.04 26.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.744 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 16.9 m-85 -141.25 142.97 33.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 HD22 ' A' ' 55' ' ' LEU . 5.4 mt -55.87 119.9 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 57' ' ' LEU . 28.9 tt0 -109.86 -31.12 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.92 167.04 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 55' ' ' LEU . 21.6 mt -145.37 108.68 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -55.74 158.73 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.0 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.779 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.71 62.77 0.31 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.468 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -130.23 169.98 12.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.797 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.636 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.06 -37.93 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.98 -67.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.54 -40.15 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.13 -54.84 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.672 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.3 t70 -48.9 -50.13 36.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.93 -46.04 2.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.58 -42.86 56.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 23' ' ' MET . 37.5 mt -55.95 102.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.4 m -109.37 163.04 13.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.8 mt -75.26 133.25 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.7 -21.55 32.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' HG13 ' A' ' 92' ' ' VAL . 11.0 m-20 -51.4 163.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 33.6 ttt180 -128.6 135.36 49.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mm -89.96 129.86 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 93' ' ' ALA . 90.5 mt -107.74 -32.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -147.2 157.7 43.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.003 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -137.93 110.61 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 20.53 11.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.74 38.9 8.44 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.27 109.8 12.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.773 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -47.66 120.79 3.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 72' ' ' LEU . 7.1 mt -107.3 60.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -104.6 -71.99 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.55 37.96 3.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 69' ' ' LEU . 13.9 mt -107.28 134.22 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -74.06 152.62 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -49.75 -39.66 38.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HA ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt -73.16 -23.6 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' GLY . 4.6 mmt-85 -80.27 -42.93 22.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -66.75 -52.5 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 79' ' ' ASP . 13.3 p -50.06 -49.13 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -55.88 -54.76 40.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.5 mt -41.46 -51.23 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.003 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -67.25 -44.89 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . 2.7 mtt180 -50.65 -55.38 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' GLY . 32.1 m80 -91.52 35.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -37.19 -91.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 140.94 55.22 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.31 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' GLY . 5.5 mtpt -94.17 108.11 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.531 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.43 120.31 40.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 13.7 ttp180 -112.85 149.61 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.794 ' HD1' HG22 ' A' ' 64' ' ' VAL . 31.0 m-85 -146.68 127.69 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' CG2' ' A' ' 9' ' ' VAL . 11.5 tp -88.38 92.91 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 17.2 t -91.33 130.53 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -100.48 130.55 46.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -68.2 96.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 164.53 12.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -72.64 172.53 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.504 HG12 ' HE2' ' A' ' 101' ' ' LYS . 55.2 t -65.42 -46.15 90.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -39.67 -56.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -43.6 -43.66 5.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -66.82 -48.76 67.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.504 ' HE2' HG12 ' A' ' 97' ' ' VAL . 64.2 mttm -41.91 -53.28 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -54.23 -43.45 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.581 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -62.16 -22.95 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -94.3 143.86 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.583 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.4 p -127.61 106.05 8.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -118.35 -96.25 1.77 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.7 m -103.56 -66.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 m -82.04 108.93 15.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.31 114.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.16 -60.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 174.86 45.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.16 -63.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 163.27 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.46 102.95 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -104.64 147.81 27.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 92' ' ' VAL . 18.8 t -93.02 159.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 40.9 p90 -151.5 139.27 19.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.0 m -85.7 157.16 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.967 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -136.92 111.89 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 9.4 mt-10 -99.67 103.45 15.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -107.85 153.41 23.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.88 114.47 28.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 2.1 ttt-85 -42.22 103.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 -170.71 29.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -11.09 21.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -6.94 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.14 47.38 5.54 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 80.11 -165.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . -159.6 66.31 0.28 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.461 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -140.55 106.32 5.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.66 88.7 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.479 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.41 143.52 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.884 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.6 tt -134.79 152.31 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.37 121.05 18.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.06 -45.87 5.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.6 mmt -53.8 -40.8 66.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 111.063 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -41.98 94.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.6 HG21 HD13 ' A' ' 103' ' ' ILE . 2.2 p -79.9 154.31 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -42.68 -28.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.709 HD11 HG23 ' A' ' 99' ' ' THR . 2.3 tp -39.93 -50.1 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.31 10.77 63.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -103.56 154.96 37.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.04 39.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.27 164.58 18.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.605 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 10.2 mt -100.79 155.35 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 22.6 m-85 -148.86 151.19 34.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 25' ' ' LEU . 24.0 mt -66.28 117.66 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.884 ' OE1' HD13 ' A' ' 26' ' ' ILE . 1.5 tt0 -99.52 -32.72 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -144.02 167.9 21.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -144.96 106.48 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.788 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -56.93 152.29 28.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.788 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.97 -75.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.17 57.73 0.83 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.3 p -131.46 168.91 15.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' C ' HD12 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.02 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.96 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -55.91 -61.09 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -53.78 -42.15 67.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -49.0 -48.39 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -54.13 -53.49 52.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 103.48 -54.47 0.68 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -38.91 -55.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 0.766 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.967 ' CD1' HG11 ' A' ' 12' ' ' VAL . 2.5 mp -40.3 119.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 p -125.17 158.56 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.55 125.17 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.74 -1.06 36.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 3.5 m-20 -57.56 174.9 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' HD21 ' A' ' 62' ' ' LEU . 31.7 ttt180 -140.46 124.11 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.9 mm -84.93 133.52 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 93' ' ' ALA . 59.7 mt -111.17 -32.65 6.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -148.37 147.94 29.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.023 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -131.12 111.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 64.88 12.13 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 29.93 8.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.45 108.15 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 p -48.91 112.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -92.71 52.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -100.64 132.24 46.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 48.54 22.98 2.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.783 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.1 mt -86.19 126.05 33.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 0.744 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.37 139.4 41.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.964 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.1 t80 -40.48 -40.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.8 -56.49 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.83 -47.41 31.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -60.41 -39.35 87.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 74' ' ' TYR . 81.6 t -68.18 -46.0 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 29.3 t0 -62.33 -26.08 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.57 -57.62 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.023 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -69.77 -37.0 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HE ' ' CE1' ' A' ' 83' ' ' HIS . 14.3 ttt180 -54.19 -54.11 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' CE1' ' HE ' ' A' ' 82' ' ' ARG . 17.5 m170 -91.49 35.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.68 -143.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.12 -179.88 28.99 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.33 -37.04 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -117.12 111.78 19.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 1.3 mtp -97.91 121.38 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 64.1 mtm180 -108.33 134.64 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.751 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.4 m-85 -135.27 130.59 35.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -92.1 88.93 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 21.5 t -89.45 150.69 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -120.8 152.2 38.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 100.67 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.0 m -82.99 -175.51 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.54 166.0 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.582 HG13 ' N ' ' A' ' 98' ' ' GLU . 11.4 p -61.56 -57.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.582 ' N ' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -40.4 -54.95 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 m -47.97 -42.99 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -68.87 -46.12 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -43.84 -47.11 8.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.7 mttt -67.7 -36.11 80.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 31' ' ' THR . 15.0 mm -62.53 -33.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -65.81 147.74 52.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.643 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -20.52 39.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.31 96.88 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t 43.23 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 p -104.75 108.73 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -104.53 -63.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -174.83 97.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.87 155.57 7.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -152.68 170.4 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.85 145.57 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.72 -167.94 11.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.409 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 7.7 p90 -138.0 148.76 45.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 10' ' ' PHE . 33.2 t -96.33 162.98 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 42.5 p90 -152.18 137.94 17.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.9 m -82.0 155.81 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.162 HG11 HD13 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -136.61 111.09 10.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.27 102.74 13.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.5 156.63 18.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ARG . 22.1 tt0 -108.58 109.43 20.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -38.6 106.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.48 -173.95 27.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.43 15.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -110.37 -23.44 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.52 53.94 0.8 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 76.32 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 0.73 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 162.9 60.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.575 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -126.78 101.59 6.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.75 65.8 1.11 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.575 HD21 ' SD ' ' A' ' 23' ' ' MET . 15.4 mt -71.98 141.17 49.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 41' ' ' GLN . 2.8 tt -135.72 152.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -70.3 124.43 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.61 -40.39 17.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.8 mmt -61.4 -19.3 61.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 -35.48 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.511 HG21 HD13 ' A' ' 103' ' ' ILE . 2.9 p -82.94 155.39 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.7 -32.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.631 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' HB3' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -40.98 -33.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.97 20.79 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.865 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -109.17 152.01 42.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.08 30.95 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.09 169.16 14.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 21.2 mt -99.77 153.13 19.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 32.3 m-85 -148.52 154.07 39.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 59' ' ' ASP . 18.0 mt -73.55 134.55 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 26' ' ' ILE . 3.1 tt0 -117.64 -38.57 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -145.03 171.2 14.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 55' ' ' LEU . 13.7 mt -144.76 104.2 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' A' ' 47' ' ' SER . 1.1 mp -49.29 156.11 1.1 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -64.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.45 51.23 4.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.484 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.7 p -127.24 161.35 54.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.461 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.04 -42.31 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.865 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -53.17 -28.97 28.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.17 -40.3 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -45.68 68.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.501 ' HB2' HD11 ' A' ' 14' ' ' LEU . 16.8 t0 -48.42 -59.86 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.88 -3.8 49.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 7.7 tpp180 -89.85 -61.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.162 HD13 HG11 ' A' ' 12' ' ' VAL . 1.2 mp -39.4 108.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -105.88 161.08 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.3 mt -73.46 131.38 41.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -23.3 36.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HB2' HD12 ' A' ' 40' ' ' ILE . 61.2 m-20 -41.12 160.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.771 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -126.33 118.59 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 25' ' ' LEU . 6.5 mm -76.06 148.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' LEU . 54.6 mt -123.99 -43.9 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.63 160.89 34.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.942 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -141.29 112.84 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.0 18.87 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.46 31.8 21.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 106.74 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.2 p -42.2 127.32 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 80' ' ' LEU . 7.3 mt -110.12 37.83 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.38 101.32 12.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.4 -38.11 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.506 HD12 HD23 ' A' ' 69' ' ' LEU . 11.2 mt -53.02 127.25 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -164.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -89.34 -38.2 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' HA ' HG12 ' A' ' 78' ' ' VAL . 8.0 mt -73.23 -23.16 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.506 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.2 mmt-85 -85.2 -38.4 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -72.53 -43.52 63.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 79' ' ' ASP . 8.8 p -59.69 -48.25 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -53.16 -50.15 65.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.552 HD12 HD21 ' A' ' 69' ' ' LEU . 15.2 mt -43.64 -60.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 64' ' ' VAL . 2.1 mp -58.61 -47.6 88.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -48.9 -54.49 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' CE1' ' OD2' ' A' ' 79' ' ' ASP . 40.3 m80 -91.73 35.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.649 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.53 -135.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.25 171.36 37.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -40.28 -38.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -113.67 116.69 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.596 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -109.85 120.27 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.41 144.86 37.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.736 ' HD1' HG22 ' A' ' 64' ' ' VAL . 45.9 m-85 -145.17 130.81 18.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.7 tp -97.62 91.66 5.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.661 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -104.64 148.34 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.39 142.99 39.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 101.49 2.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.1 174.91 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -83.7 179.29 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 t -72.16 -41.98 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.31 -55.79 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -43.87 -39.55 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.07 64.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -50.68 -52.18 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD13 HG21 ' A' ' 31' ' ' THR . 2.9 mm -62.93 -31.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 2.4 p80 -149.91 110.98 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.5 m 48.57 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -114.26 151.09 18.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.4 11.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.1 m -128.35 112.12 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -107.32 117.62 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 140.51 46.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 132.26 51.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.87 94.34 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -129.09 98.86 5.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.63 47.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.89 161.68 15.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 3.4 p90 -120.41 157.66 28.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 92' ' ' VAL . 19.5 t -101.87 161.08 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 48.7 p90 -148.73 136.6 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -81.51 153.03 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.04 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -131.02 110.81 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 89' ' ' ARG . 21.0 mt-10 -102.34 109.84 21.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.658 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.4 mt -122.15 170.01 10.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 11.4 tt0 -119.55 138.56 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 108.83 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.51 -171.07 17.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.8 21.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.768 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.6 m -106.08 -15.67 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.88 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.771 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 81.05 -139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.256 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 168.62 73.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.56 123.14 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.67 82.82 0.61 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.641 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -75.31 154.93 37.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' C ' HD23 ' A' ' 38' ' ' LEU . 3.3 tt -149.63 149.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.03 123.28 22.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.26 -23.54 1.9 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -31.44 67.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -34.79 57.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 33' ' ' LEU . 2.7 p -81.99 151.97 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -41.89 -29.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 0.0 109.644 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.9 tp -40.88 -43.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.48 60.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -120.39 154.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.68 22.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.61 155.75 8.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 26' ' ' ILE . 13.9 mt -94.25 142.42 27.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 63.8 m-85 -141.7 138.65 32.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mt -54.02 135.3 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 57' ' ' LEU . 12.5 tt0 -116.78 -39.84 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.37 167.32 22.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.2 mt -144.91 102.71 3.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.82 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -46.34 152.99 0.77 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -65.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.28 49.86 4.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 2.5 p -123.49 161.2 47.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.473 ' C ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 -37.23 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.56 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.81 -43.0 14.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.64 -37.68 41.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' HD21 ' A' ' 14' ' ' LEU . 4.6 t70 -55.15 -60.47 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.64 -53.87 0.56 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -46.32 -62.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.04 HD13 HG11 ' A' ' 12' ' ' VAL . 2.4 mp -40.66 112.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.9 m -118.1 167.42 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 41' ' ' GLN . 12.0 mt -76.71 125.8 29.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.69 -12.83 46.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' A' ' 92' ' ' VAL . 30.8 m-20 -59.81 137.66 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 13.2 ttt180 -99.83 137.01 38.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.428 HD13 ' HB ' ' A' ' 92' ' ' VAL . 7.0 mm -91.67 154.45 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 61.5 mt -124.77 -44.28 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -136.89 152.03 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.095 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -132.23 105.86 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' ND2' ' CE ' ' A' ' 88' ' ' MET . 8.7 m-20 63.5 19.28 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.08 43.75 4.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 112.67 11.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 0.77 . . . . 0.0 110.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -56.58 112.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -92.45 54.47 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.2 mt -97.02 119.72 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.13 26.35 6.2 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.914 ' HB2' HD23 ' A' ' 69' ' ' LEU . 5.6 mt -79.74 129.98 34.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -56.42 142.1 40.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' O ' HG12 ' A' ' 78' ' ' VAL . 68.7 t80 -50.12 -28.25 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HA ' HG12 ' A' ' 78' ' ' VAL . 16.5 mt -79.16 -31.15 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.5 mmt-85 -72.99 -43.43 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.978 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.94 -54.04 15.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 75' ' ' LEU . 6.4 p -53.36 -39.93 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 5.9 t70 -61.12 -39.31 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.52 -56.49 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.095 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -67.07 -22.14 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 7.4 ttt180 -77.21 -52.29 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -90.32 35.79 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.31 -141.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.56 -166.87 18.5 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -51.13 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -116.52 165.46 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.771 ' HG3' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -138.81 121.53 16.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 13' ' ' GLU . 4.3 mtm180 -107.45 138.43 43.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.776 ' HD1' HG22 ' A' ' 64' ' ' VAL . 42.6 m-85 -136.87 140.47 42.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.4 tp -107.78 90.61 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.68 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.03 154.47 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.96 175.47 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -83.19 100.21 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.24 177.3 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -121.09 179.93 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.588 HG12 ' HD2' ' A' ' 101' ' ' LYS . 82.4 t -72.06 -54.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -44.05 -49.55 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -48.2 -51.32 25.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -62.8 -45.62 91.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.588 ' HD2' HG12 ' A' ' 97' ' ' VAL . 2.7 mttp -44.98 -36.72 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 33' ' ' LEU . 22.5 mttt -77.1 -38.53 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ALA . 3.1 mm -64.32 -30.55 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -69.01 141.41 54.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t 69.2 152.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.19 89.53 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.13 34.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.39 97.31 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 129.83 43.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -89.71 -57.56 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -171.34 -57.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.27 -172.14 45.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.45 -48.1 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -62.4 163.25 8.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.72 129.22 1.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.453 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 11.7 p90 -119.79 145.68 46.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.8 t -101.4 161.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 43.1 p90 -144.79 137.51 26.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.3 m -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.063 HG11 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.23 111.56 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -104.74 111.44 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 48' ' ' PRO . 1.4 mt -123.42 171.57 9.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 15.7 tt0 -120.21 150.19 41.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.99 126.89 31.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.35 -175.45 32.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -111.14 -22.78 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.8 55.13 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.732 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.6 OUTLIER 72.88 -141.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.546 ' O ' HD23 ' A' ' 43' ' ' LEU . . . 176.56 60.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.4 122.13 22.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.15 0.73 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -77.55 143.78 38.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 41' ' ' GLN . 2.5 tt -135.99 148.98 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' HIS . 35.9 t0 -65.74 117.85 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -43.98 -26.67 0.88 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -40.4 60.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.7 m170 -55.0 -38.4 67.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.449 HG21 HD13 ' A' ' 103' ' ' ILE . 21.9 p -80.44 156.21 26.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.73 -25.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.831 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.7 tp -46.82 -35.48 6.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.69 20.12 7.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.127 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.831 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -106.85 152.48 40.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.01 40.67 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.474 1.776 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.48 163.27 22.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 7.1 m-85 -129.4 158.3 39.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.5 mt -71.66 131.65 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' O ' HD13 ' A' ' 57' ' ' LEU . 2.6 tt0 -113.84 -39.19 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.93 171.12 14.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 22' ' ' GLY . 8.4 mt -144.46 98.91 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HD2' ' A' ' 45' ' ' PRO . 1.1 tt -43.2 140.45 2.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.05 146.75 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.86 10.3 38.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.459 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.1 p -84.93 170.58 13.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.92 -34.95 3.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -64.47 -28.42 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.36 -40.95 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.99 60.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.491 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.0 t70 -62.8 -60.26 3.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.07 -60.51 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -41.44 -62.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.063 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.99 114.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -125.24 164.04 21.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 41' ' ' GLN . 8.3 mt -72.81 129.51 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.3 -18.9 35.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 64.3 m-20 -50.5 156.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 6.7 ttt85 -123.49 118.85 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.529 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.4 mm -75.0 150.23 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 ' HD3' ' A' ' 60' ' ' ARG . 64.4 mt -123.19 -44.18 2.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -134.97 161.58 34.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.993 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -139.04 106.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 62.66 26.35 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.04 41.6 8.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.79 114.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.81 116.56 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 ' HB1' ' A' ' 77' ' ' ALA . 5.7 tp -105.36 60.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -99.01 -77.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.98 41.96 3.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 69' ' ' LEU . 22.1 mt -115.13 131.53 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.42 -163.03 1.37 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -90.99 -25.72 19.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 75' ' ' LEU . 14.7 mt -82.25 -27.66 32.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.2 mmt-85 -80.81 -39.29 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.988 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -70.61 -49.03 52.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 79' ' ' ASP . 9.9 p -54.08 -50.91 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.9 t70 -50.93 -47.39 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.53 -50.41 65.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.993 HD11 HG21 ' A' ' 64' ' ' VAL . 1.9 mp -67.22 -27.55 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -53.56 10.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OD2' ' A' ' 79' ' ' ASP . 40.8 m80 -92.54 36.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -50.54 -103.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 163.02 76.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 66.39 -73.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -93.16 152.59 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.732 ' HG3' HD21 ' A' ' 21' ' ' LEU . 41.3 mmm -120.87 119.98 34.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 131.96 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.735 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.2 m-85 -131.68 141.22 49.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 16.5 tp -105.02 88.66 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.56 147.12 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.61 -179.94 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 98.22 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.37 -171.65 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.4 175.52 6.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.53 -44.41 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -48.18 -56.7 7.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -45.96 -46.32 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -57.32 -49.71 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -41.63 -55.0 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.5 mttt -59.22 -38.62 80.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.449 HD13 HG21 ' A' ' 31' ' ' THR . 1.4 mm -66.06 -22.84 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.57 163.78 27.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 m -118.38 128.52 54.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.96 152.71 22.83 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 101.09 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.4 p -50.14 -58.56 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.2 134.32 51.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.39 132.58 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -149.6 116.09 5.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.89 -167.92 24.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -139.96 -55.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 110.058 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 39.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.33 -164.9 12.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -107.74 163.77 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 10' ' ' PHE . 39.1 t -112.23 165.01 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 38.8 p90 -148.09 138.19 22.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.5 m -84.21 156.03 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -137.64 112.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -106.96 107.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -120.11 172.55 7.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 17' ' ' GLY . 15.0 tt0 -119.59 122.24 41.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -38.8 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . . . -71.19 -175.45 21.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.42 17.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -105.66 -15.03 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.586 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 96.23 34.13 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER 88.65 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.85 56.77 10.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -124.43 101.98 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.975 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.29 75.32 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.3 mt -81.86 132.12 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.443 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.3 tt -132.41 160.92 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.6 OUTLIER -74.05 117.2 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.573 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -40.5 -28.15 0.19 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' ASP . 2.1 mmt -72.27 -50.16 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -52.28 -42.55 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.549 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HG23 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -79.71 156.62 27.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.2 m170 -51.33 -20.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.956 HD12 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -37.69 -60.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.08 88.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.09 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.956 ' HB3' HD12 ' A' ' 33' ' ' LEU . . . -98.9 147.13 32.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.39 31.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.92 -176.69 20.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 5.0 mt -105.99 152.56 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 4.9 m-85 -144.32 155.79 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.541 HD11 ' HG ' ' A' ' 55' ' ' LEU . 18.4 mt -70.46 112.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.8 tt0 -90.06 -37.79 14.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.98 170.72 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 31.3 mt -143.61 102.32 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 150.09 13.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.46 41.33 3.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 6.3 p -127.68 164.46 36.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.6 Cg_endo -74.94 -44.97 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.5 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -39.77 -52.8 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.83 -54.49 26.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.34 -43.49 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 20.2 t70 -46.65 -60.4 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.74 -64.12 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.35 -60.35 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 12' ' ' VAL . 2.3 mp -40.53 114.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.9 m -124.23 164.73 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.59 140.17 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.76 -23.93 28.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -40.7 154.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 32.9 ttt180 -122.48 120.25 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 92' ' ' VAL . 12.1 mm -78.7 150.82 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' LEU . 70.2 mt -123.66 -44.1 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -132.38 161.13 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.066 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.52 105.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.74 24.33 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.71 24.51 58.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 118.97 36.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -55.18 117.87 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.915 HD11 ' HB1' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -107.23 59.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -103.16 -55.9 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.37 35.92 4.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.885 ' HB2' HD23 ' A' ' 69' ' ' LEU . 13.1 mt -104.35 133.91 48.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.94 157.91 53.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' HG12 ' A' ' 78' ' ' VAL . 27.3 t80 -58.03 -30.85 66.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 75' ' ' LEU . 15.1 mt -78.54 -25.0 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HD2' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -80.91 -41.19 23.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -67.15 -50.59 60.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 79' ' ' ASP . 14.6 p -52.33 -54.22 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.539 ' N ' HG13 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -52.27 -53.54 42.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.8 mt -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.066 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -65.31 -41.77 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -55.81 -54.99 37.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' GLY . 35.0 m80 -92.68 35.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -38.63 -92.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.72 55.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 85' ' ' GLY . 15.7 mmtt 68.58 -63.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' GLY . 12.8 mtmt -94.65 110.23 22.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -104.25 120.63 41.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -113.04 135.5 53.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.762 ' HD1' HG22 ' A' ' 64' ' ' VAL . 35.5 m-85 -133.19 135.36 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 27.2 tp -102.18 89.37 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.66 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -103.46 146.63 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.05 176.83 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 108.53 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.56 -178.05 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.21 178.28 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.53 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.74 -46.91 15.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.7 HG23 HD21 ' A' ' 33' ' ' LEU . 2.6 m -47.58 -45.28 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.574 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -60.87 -56.27 23.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -39.4 -64.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -42.31 -48.75 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.951 HG12 HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.0 -40.92 90.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.574 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 23.7 m170 -59.38 168.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -91.95 109.21 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -85.94 166.96 39.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.47 27.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -114.38 123.69 50.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.8 m -60.69 97.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 54.35 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 109.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.6 149.12 35.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.39 -169.38 30.35 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -106.91 -59.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.57 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.49 85.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 46.6 p90 -116.23 171.56 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.712 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.56 164.63 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 47.3 p90 -146.25 142.53 28.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.4 m -89.07 153.93 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -129.41 112.26 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 119.82 37.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 52' ' ' ASP . 3.4 mt -134.48 166.62 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -117.46 113.51 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.08 106.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.7 -175.33 23.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.62 18.77 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -90.01 -21.98 22.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.28 49.81 1.66 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.7 OUTLIER 74.79 -140.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 171.26 65.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.581 ' SD ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.61 127.32 23.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 111.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.89 87.45 0.92 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -79.66 134.73 36.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 2.2 tt -121.08 154.38 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 37.1 t0 -70.75 117.38 12.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.19 -31.47 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -35.94 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 3.0 m170 -62.98 -37.48 87.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 103' ' ' ILE . 7.6 p -80.16 155.15 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -26.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tp -47.75 -38.53 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.0 30.11 45.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -119.79 153.49 54.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.97 38.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 167.55 13.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.2 mm? -107.59 130.12 54.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 12.3 m-85 -126.64 149.49 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.512 HD11 HD22 ' A' ' 55' ' ' LEU . 21.0 mt -68.13 122.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 4.4 tp-100 -107.13 -29.29 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -151.61 169.82 21.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 57' ' ' LEU . 4.7 mt -143.89 123.99 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -67.81 159.67 77.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -83.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.17 58.67 0.58 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.464 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 5.2 p -129.54 165.32 33.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 47' ' ' SER . 18.4 Cg_endo -74.95 -36.12 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.25 -63.7 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.15 65.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -57.97 -43.36 86.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 14' ' ' LEU . 5.6 t70 -51.12 -55.82 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.86 -61.68 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.93 -56.3 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.581 HD13 ' SD ' ' A' ' 23' ' ' MET . 20.1 mt -39.94 104.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -114.88 159.15 21.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 43' ' ' LEU . 7.8 mt -68.6 131.46 45.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.76 -20.78 33.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' HB3' HG13 ' A' ' 92' ' ' VAL . 47.8 m-20 -45.77 163.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 21.6 ttt180 -133.44 126.28 30.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 92' ' ' VAL . 16.2 mm -81.87 137.1 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 93' ' ' ALA . 76.5 mt -112.85 -32.63 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -150.37 150.11 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 81' ' ' ILE . 1.8 t -129.35 107.33 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 61.86 14.75 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 41.45 3.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.482 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -125.74 101.75 7.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.009 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.1 p -42.64 116.41 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.92 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -111.38 61.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -90.8 -82.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.26 35.67 4.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.777 ' HB2' HD23 ' A' ' 69' ' ' LEU . 10.0 mt -99.92 119.99 39.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.8 -176.99 5.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' HA ' HD21 ' A' ' 38' ' ' LEU . 4.8 t80 -65.37 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 0.724 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 6.1 mp -46.51 -29.27 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -75.21 -49.94 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.92 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -69.37 -56.36 7.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 75' ' ' LEU . 4.3 p -40.07 -41.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.77 -51.72 67.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 67' ' ' SER . 96.7 mt -41.71 -57.65 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -61.92 -50.38 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -43.74 -56.06 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -92.24 35.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.71 -146.53 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.46 166.66 26.06 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.4 -36.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -108.71 109.03 20.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.763 ' HG3' HD21 ' A' ' 21' ' ' LEU . 77.9 mmm -90.5 119.39 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -114.85 128.93 56.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.754 ' HD1' HG22 ' A' ' 64' ' ' VAL . 28.0 m-85 -129.69 133.63 47.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.712 HD11 ' CG2' ' A' ' 9' ' ' VAL . 10.1 tp -94.2 89.28 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 59' ' ' ASP . 20.6 t -89.57 132.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -98.66 134.12 42.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -65.3 96.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.406 ' N ' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -94.34 159.68 15.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.53 167.19 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.1 t -58.16 -39.44 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -49.1 -51.25 32.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -49.94 -33.03 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.93 -41.39 29.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -46.71 -50.05 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 6.0 mttt -64.72 -33.57 76.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 31' ' ' THR . 4.9 mm -66.84 -33.68 65.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -71.94 135.18 46.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -116.28 129.05 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.25 146.08 18.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.804 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m -129.28 -64.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 t -55.35 141.22 36.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.108 . . . . 0.0 110.989 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.06 110.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -115.96 153.22 31.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.61 -81.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.76 126.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.956 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.93 157.03 43.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.88 178.17 31.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -126.61 169.39 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.67 163.97 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.62 ' CE2' HG22 ' A' ' 92' ' ' VAL . 51.8 p90 -147.12 151.23 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.5 m -90.53 156.68 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.038 HG11 HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -140.8 115.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -108.33 103.06 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD21 HG12 ' A' ' 12' ' ' VAL . 3.1 mm? -107.36 157.89 17.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 16.7 tt0 -110.43 108.36 18.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -39.6 112.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.75 -168.84 45.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -10.24 21.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -115.68 -13.24 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 125.7 -118.11 3.1 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -138.87 13.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.502 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 36.98 64.95 0.61 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.404 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -137.36 101.13 4.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 0.721 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -78.45 73.84 2.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD22 HG12 ' A' ' 40' ' ' ILE . 9.5 mt -78.41 130.68 36.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.3 tt -126.72 153.16 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' MET . 57.4 t0 -74.14 124.41 26.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.83 -27.76 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -66.77 -48.07 70.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.9 m-70 -51.9 -40.4 60.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.901 HG21 HD13 ' A' ' 103' ' ' ILE . 14.6 p -79.88 -179.09 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.7 -18.27 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tp -49.13 -24.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.73 31.29 1.77 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.56 152.19 78.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.763 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.16 43.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.7 162.38 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 2.4 mm? -97.51 142.04 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.5 m-85 -144.57 138.68 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 8.0 mt -58.66 133.61 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HB2' HG22 ' A' ' 26' ' ' ILE . 2.8 tt0 -116.48 -38.3 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.65 167.23 23.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.3 mt -144.59 125.98 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -75.07 156.12 86.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.791 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.99 -50.9 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.43 43.88 3.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.502 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 51.5 p -118.89 161.86 34.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.05 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -51.32 -31.93 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -48.72 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.17 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' LEU . 13.0 t70 -56.85 -49.74 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.67 -54.35 1.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -42.32 -56.74 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.05 HD23 ' HB1' ' A' ' 49' ' ' ALA . 1.6 mp -42.53 111.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -115.68 164.82 13.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.36 130.42 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.62 -22.83 31.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 4.7 m-20 -45.63 159.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.563 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 37.1 ttt180 -124.96 123.09 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 62' ' ' LEU . 19.7 mm -75.1 153.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 93' ' ' ALA . 44.1 mt -128.38 -44.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 79.3 mt-10 -131.87 161.68 32.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.009 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -143.17 103.56 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.15 12.37 7.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' HA2' ' NH1' ' A' ' 89' ' ' ARG . . . 99.37 23.32 11.31 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 0.803 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.4 p -59.42 118.92 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -106.78 60.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.1 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.03 23.82 18.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 HD22 ' A' ' 69' ' ' LEU . 9.4 mt -89.41 126.77 35.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.04 156.31 41.27 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' O ' HG12 ' A' ' 78' ' ' VAL . 8.9 t80 -54.1 -45.61 71.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.542 ' HA ' HG12 ' A' ' 78' ' ' VAL . 4.7 mt -65.3 -26.68 68.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.5 mmt-85 -78.33 -45.13 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.95 -47.76 70.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -59.66 -44.64 93.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' CG ' ' CE1' ' A' ' 83' ' ' HIS . 3.6 t0 -56.47 -48.18 77.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.14 -54.4 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.009 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -64.14 -42.05 94.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -54.89 -57.95 9.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 79' ' ' ASP . 4.9 m80 -91.52 35.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.39 -140.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.9 173.37 32.55 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 13.7 mmmt -44.37 -37.39 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 114.97 28.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -115.47 120.05 38.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 90' ' ' PHE . 2.7 ttm180 -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.75 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.0 m-85 -138.73 137.93 37.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.1 tp -103.4 91.45 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.62 HG22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -100.56 135.59 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -90.93 145.73 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 95.94 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.05 -176.92 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -100.86 169.99 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ALA . 27.5 m -56.18 -48.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 97' ' ' VAL . 14.5 mt-10 -40.56 -55.84 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.46 -38.67 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -76.4 -37.71 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -48.33 -43.46 33.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -63.12 -34.5 77.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 31' ' ' THR . 1.3 mm -75.4 -21.7 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.51 160.78 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.6 p -113.56 98.08 6.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.91 91.38 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 137.76 22.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.6 t -61.96 110.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -78.38 105.98 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.87 133.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -162.94 121.78 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.94 -126.84 1.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.46 -62.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.31 97.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.5 -165.38 32.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 p90 -130.66 151.47 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.3 t -100.12 160.18 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CE1' HG13 ' A' ' 92' ' ' VAL . 29.6 p90 -146.82 139.0 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 161.31 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -143.35 112.67 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -104.79 102.8 12.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.603 HD21 HG12 ' A' ' 12' ' ' VAL . 3.0 mm? -106.25 165.95 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' ARG . 17.5 tt0 -116.43 106.74 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.48 107.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.92 -168.89 43.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -7.92 19.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -107.25 -11.2 15.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 48.54 4.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.8 OUTLIER 80.14 -133.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 163.47 86.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.462 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -148.78 101.4 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.88 64.13 0.33 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 61' ' ' ILE . 9.0 mt -73.0 131.6 42.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.528 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.9 tt -132.5 163.63 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.5 t70 -78.77 118.03 20.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -40.58 -27.82 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -70.49 -44.3 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.938 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' ASP . 10.6 m170 -61.39 -40.09 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.594 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.644 HG21 HG23 ' A' ' 103' ' ' ILE . 1.7 p -78.94 152.77 30.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -39.69 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.954 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -41.52 -62.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 83.33 -10.32 59.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.954 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . . . -82.62 149.62 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 39' ' ' TYR . . . 122.62 158.58 10.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.02 137.8 31.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 37' ' ' GLY . 74.5 m-85 -138.93 152.0 47.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.642 HD11 HD22 ' A' ' 55' ' ' LEU . 5.0 mt -72.68 131.72 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER -111.41 -38.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.65 150.74 33.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CA ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -116.57 102.14 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.825 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -43.38 155.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.825 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -78.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.19 56.74 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.492 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 4.0 p -129.8 160.21 66.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.03 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.636 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -54.53 -54.36 42.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.791 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -56.72 -60.21 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.77 -36.53 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' OD2' HG13 ' A' ' 12' ' ' VAL . 1.8 t70 -46.42 -33.31 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.42 -53.96 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -47.93 63.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.642 HD22 HD11 ' A' ' 40' ' ' ILE . 35.2 mt -55.45 104.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -104.51 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 43' ' ' LEU . 11.4 mt -78.09 127.96 33.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.8 -18.41 40.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -48.33 158.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 37.0 ttt180 -123.1 128.59 50.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.556 ' O ' HD23 ' A' ' 62' ' ' LEU . 10.0 mm -80.79 154.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 61' ' ' ILE . 29.7 mt -127.92 -46.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -132.51 160.8 35.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 81' ' ' ILE . 1.7 t -141.27 104.31 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.162 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 62.07 29.14 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.91 42.31 9.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.17 104.21 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -49.16 115.87 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -94.09 39.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -100.62 102.19 13.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.88 -17.46 54.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 80' ' ' LEU . 11.3 mt -66.6 117.46 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 74' ' ' TYR . . . -59.43 145.93 44.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.937 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.3 t80 -37.63 -48.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.48 -57.25 13.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 72' ' ' LEU . 11.8 mmt180 -52.64 -41.11 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -64.19 -42.84 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 74' ' ' TYR . 64.2 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 82' ' ' ARG . 45.5 t0 -58.03 -35.83 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 72' ' ' LEU . 13.7 mt -62.44 -56.17 20.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 64' ' ' VAL . 2.3 mp -69.66 -7.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' A' ' 79' ' ' ASP . 32.0 ttt180 -88.38 -50.69 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -93.15 28.57 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.56 -140.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.08 -162.34 9.89 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -71.35 -28.39 64.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.08 108.39 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 21' ' ' LEU . 64.7 mmm -94.56 118.78 32.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -110.29 130.32 55.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' HD1' HG22 ' A' ' 64' ' ' VAL . 41.3 m-85 -129.28 131.83 47.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 25.5 tp -101.34 89.75 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -101.81 157.08 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -114.37 145.18 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 95.68 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.5 p -79.08 173.89 12.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.56 172.49 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.9 m -62.83 -49.38 83.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' N ' HG23 ' A' ' 97' ' ' VAL . 2.1 mt-10 -43.81 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -41.66 -42.63 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -65.78 -51.36 59.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 104' ' ' HIS . 56.6 mttt -44.42 -47.99 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.86 -38.75 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 31' ' ' THR . 2.0 mm -72.27 -33.49 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' LYS . 9.7 m170 -76.47 -70.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -171.58 93.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -39.76 126.09 2.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.56 42.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 t -90.73 86.07 6.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.76 144.9 29.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -136.54 132.01 34.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -56.12 165.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.75 173.6 33.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.32 134.5 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.08 134.78 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.16 177.99 28.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 32.6 p90 -134.59 167.26 21.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.743 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -118.51 164.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CE1' HG22 ' A' ' 92' ' ' VAL . 32.5 p90 -147.81 147.3 29.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.4 m -87.76 154.98 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.98 114.93 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.34 104.75 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -115.8 170.72 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' ARG . 15.1 tt0 -119.28 115.97 25.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -37.67 123.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.96 -174.93 27.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.18 9.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -108.36 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.6 47.34 4.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HA ' ' HG2' ' A' ' 48' ' ' PRO . 2.0 mt 80.76 -52.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.7 52.6 9.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.721 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -115.62 101.96 9.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.744 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -67.02 68.89 0.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.721 HD21 ' SD ' ' A' ' 23' ' ' MET . 20.8 mt -76.44 132.97 39.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HD13 ' A' ' 38' ' ' LEU . 3.6 tt -128.34 159.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.31 131.7 40.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -59.36 -15.74 32.5 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.91 -41.32 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -67.08 -34.68 78.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.626 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -80.01 154.08 28.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -40.71 -37.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.609 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 2.2 tp -40.44 -48.39 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . 65.08 9.78 43.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.42 154.24 40.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.17 29.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 171.92 15.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.3 mm? -103.04 149.45 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CE2' ' CD2' ' A' ' 33' ' ' LEU . 6.9 m-85 -141.86 145.45 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 29.3 mt -66.3 122.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 4.5 tt0 -101.96 -37.15 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 p -147.9 178.07 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 49' ' ' ALA . 72.4 mt -144.49 101.74 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -45.38 142.22 3.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.05 152.99 41.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.01 19.4 7.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.17 171.24 6.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.043 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.526 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.0 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.431 ' O ' HD22 ' A' ' 43' ' ' LEU . . . -63.44 -16.0 59.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.42 62.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.55 ' HB2' HD21 ' A' ' 14' ' ' LEU . 7.9 t70 -52.29 -59.5 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.58 -60.7 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.22 -60.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 12' ' ' VAL . 1.5 mp -40.13 110.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.57 157.86 21.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.58 131.32 45.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.2 -24.87 26.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 92' ' ' VAL . 83.0 m-20 -42.02 150.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 19.0 ttt180 -120.48 118.83 31.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.3 mm -74.92 147.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 93' ' ' ALA . 55.6 mt -122.46 -42.68 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -132.53 156.37 46.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.029 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -139.99 111.59 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.36 18.99 9.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.94 44.83 4.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.39 113.26 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 109.995 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.96 121.68 9.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.872 HD11 ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -105.01 60.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' LEU . 94.7 mt -98.42 133.68 42.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.0 29.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' A' ' 69' ' ' LEU . 7.7 mt -91.45 120.95 32.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.88 -176.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.651 ' CE1' HG21 ' A' ' 78' ' ' VAL . 46.5 t80 -68.33 -66.17 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.783 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD12 ' HD1' ' A' ' 74' ' ' TYR . 10.0 mp -45.51 -44.32 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.489 ' HB3' HD22 ' A' ' 72' ' ' LEU . 17.4 mmt180 -53.85 -48.68 69.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.872 ' HB1' HD11 ' A' ' 69' ' ' LEU . . . -70.34 -34.34 72.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.651 HG21 ' CE1' ' A' ' 74' ' ' TYR . 61.4 t -67.08 -40.34 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.36 -29.05 70.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 77' ' ' ALA . 87.3 mt -66.86 -56.62 9.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.029 HD11 HG21 ' A' ' 64' ' ' VAL . 3.2 mp -71.56 -13.4 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -71.5 -47.15 57.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -91.52 33.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . -126.68 104.31 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.73 164.48 21.11 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.33 -77.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 119.88 40.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -126.42 119.96 28.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -105.28 144.03 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.76 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.9 m-85 -142.51 135.6 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.743 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.3 tp -106.16 93.4 4.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.653 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.92 129.39 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -83.61 148.28 27.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -79.18 100.31 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.81 167.83 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -85.76 179.64 7.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.05 -40.24 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -45.37 -42.96 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.6 m -58.13 -44.51 87.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.55 -43.01 86.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -47.92 -46.24 31.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -66.55 -32.74 74.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.72 -33.98 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.67 170.64 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -152.54 94.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.59 121.71 0.62 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 128.99 11.96 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.9 m -98.75 157.23 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.09 125.7 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.24 149.9 14.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -150.77 152.91 34.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.39 143.05 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -145.54 90.34 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.99 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -144.63 165.32 28.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 130.5 2.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 10.5 p90 -139.22 143.95 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 10' ' ' PHE . 25.9 t -99.38 164.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CE1' HG22 ' A' ' 92' ' ' VAL . 35.1 p90 -149.3 141.97 24.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 m -90.83 153.18 20.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG12 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.96 118.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -109.14 103.27 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 55' ' ' LEU . 3.2 mm? -105.92 159.85 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -113.08 112.13 23.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -38.81 114.26 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.65 -165.67 41.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -14.45 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t -113.18 -20.2 11.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 136.07 -107.57 0.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.7 OUTLIER -141.2 14.78 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 38.27 55.53 1.98 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.445 ' CG ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.93 119.7 14.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 111.003 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.44 85.04 0.7 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -85.88 120.66 27.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.853 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.5 tt -124.59 160.02 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -78.8 157.78 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -84.1 23.83 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.3 mmt -93.35 -52.12 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 1.062 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -72.56 -31.91 65.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.595 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.062 HG23 ' CD2' ' A' ' 30' ' ' HIS . 7.8 p -79.53 148.69 31.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -40.77 -29.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 39' ' ' TYR . 3.7 tp -38.63 -34.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.35 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -127.38 152.05 75.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.85 18.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . 140.64 155.51 6.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD13 HD21 ' A' ' 69' ' ' LEU . 2.0 mp -93.8 155.31 17.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 61.1 m-85 -159.28 147.79 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 43' ' ' LEU . 15.3 mt -64.42 116.9 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.642 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -101.74 -35.39 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.27 159.91 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 40' ' ' ILE . 7.4 mt -145.65 116.84 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -65.25 151.63 93.52 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.848 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.01 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.22 52.03 4.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.516 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -129.99 171.29 9.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.988 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HB2' HD12 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -51.78 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.73 -55.28 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -56.46 -44.19 80.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 48' ' ' PRO . . . -51.98 -32.49 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -45.54 76.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -48.82 3.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -45.57 -55.67 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD13 ' HB1' ' A' ' 49' ' ' ALA . 6.7 mt -48.77 115.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 m -121.89 160.16 25.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 41' ' ' GLN . 6.5 mt -70.67 125.08 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.9 -6.53 31.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 21.1 m-20 -62.84 167.71 4.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 37.2 ttt180 -131.37 123.95 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.508 HD13 ' HB ' ' A' ' 92' ' ' VAL . 4.4 mm -81.21 146.92 6.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 91' ' ' LEU . 35.0 mt -120.69 -44.22 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -133.5 161.8 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.013 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -142.37 110.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 64.37 14.31 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.88 36.72 6.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.96 113.68 17.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.3 p -45.25 118.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 38' ' ' LEU . 1.2 tp -113.24 61.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.81 -84.08 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.6 41.58 3.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 76' ' ' ARG . 13.4 mt -103.9 130.27 51.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -65.38 150.34 51.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -52.58 -20.72 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 75' ' ' LEU . 12.2 mt -86.22 -24.97 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -84.55 -39.29 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 81' ' ' ILE . . . -71.04 -44.16 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 79' ' ' ASP . 7.7 p -59.06 -47.9 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.6 t70 -55.83 -45.21 78.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.0 mt -49.63 -60.28 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.013 HD11 HG21 ' A' ' 64' ' ' VAL . 2.4 mp -64.1 -48.98 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -48.78 -54.91 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -90.97 35.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.606 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.98 -142.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.43 178.87 33.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.91 -38.06 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.7 113.68 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -112.55 120.41 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.05 147.46 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.767 ' HD1' HG22 ' A' ' 64' ' ' VAL . 39.6 m-85 -144.06 127.99 17.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 23.6 tp -98.23 88.73 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.606 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -102.75 156.13 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.45 156.88 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 96.7 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.33 169.43 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -179.96 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -74.34 -46.57 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -45.09 -47.96 11.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -51.98 -53.55 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -53.37 -53.84 45.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -40.13 -55.81 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 8.0 mttt -54.13 -42.93 70.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 100' ' ' ALA . 1.6 mm -64.92 -40.12 87.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.58 138.29 55.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -68.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.16 85.77 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.43 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.23 -57.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.6 m -75.53 146.0 40.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.85 -57.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.6 139.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.39 166.67 24.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -173.61 154.63 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.2 131.02 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.67 153.77 20.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -129.87 144.37 51.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.8 t -92.82 155.75 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 37.6 p90 -149.77 137.82 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 89' ' ' ARG . 72.9 m -85.7 155.64 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.417 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.81 112.39 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -102.91 117.17 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -128.97 177.58 7.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 12.9 tt0 -115.24 111.46 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -38.71 114.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.01 -171.95 25.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.55 20.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -121.48 28.23 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 21' ' ' LEU . . . 72.91 42.94 43.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER 82.01 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' LEU . . . 130.02 67.06 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.487 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -135.96 130.57 33.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -97.69 84.62 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -83.75 137.88 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.4 tt -143.71 147.55 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 5.1 p30 -75.57 156.99 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.73 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -81.53 40.86 2.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.132 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mmt -103.85 -51.34 3.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 1.025 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -79.53 -28.05 41.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.605 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.025 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.5 p -79.14 156.34 28.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -49.42 -22.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.651 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.73 HD23 ' HA3' ' A' ' 28' ' ' GLY . 7.4 tp -38.28 -55.59 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.77 23.69 76.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -138.08 143.37 39.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.98 138.35 22.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 38' ' ' LEU . . . 159.34 -157.32 28.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 2.6 mm? -132.51 143.59 49.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.715 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 6.6 m-85 -160.66 145.89 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.732 HG21 ' CD2' ' A' ' 43' ' ' LEU . 16.3 mt -68.24 135.55 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.787 ' HB2' HG22 ' A' ' 26' ' ' ILE . 28.4 tt0 -109.6 -32.63 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -152.62 152.23 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.732 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -121.19 91.68 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.603 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -40.09 149.88 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -62.49 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.39 52.22 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.5 p -129.52 158.24 73.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.602 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.96 -34.61 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.89 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.656 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -60.95 -49.38 77.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.34 -38.26 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HB2' HD21 ' A' ' 14' ' ' LEU . 1.1 t70 -47.58 -51.67 20.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.97 -44.12 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -62.27 -43.96 97.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.774 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' CD2' HG21 ' A' ' 92' ' ' VAL . 33.9 mt -56.1 103.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -101.79 165.41 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 43' ' ' LEU . 10.9 mt -79.4 125.21 29.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ASP . . . 107.07 -12.95 40.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 6.7 m-20 -46.52 172.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.225 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -133.38 117.18 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.2 mm -75.02 136.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.889 HD11 ' HB2' ' A' ' 93' ' ' ALA . 53.5 mt -112.74 -34.91 5.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 14.3 mt-10 -145.23 160.47 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 81' ' ' ILE . 2.4 t -142.43 108.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER 75.66 -56.72 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.77 39.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.696 ' HB2' HD11 ' A' ' 80' ' ' LEU . 2.7 t -133.46 110.99 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 99.3 p -56.5 121.24 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -98.37 47.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 mt -100.87 71.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.66 -17.97 10.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.609 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.6 mt -55.47 118.16 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -49.2 137.75 18.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.945 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.9 t80 -37.9 -51.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.75 -49.47 68.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CD ' HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.95 -51.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -58.75 -49.22 78.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 74' ' ' TYR . 58.5 t -47.27 -41.8 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' LEU . 16.7 t70 -57.91 -55.9 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 67' ' ' SER . 0.8 OUTLIER -38.96 -65.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.028 HD11 HG21 ' A' ' 64' ' ' VAL . 3.0 mp -58.55 -53.21 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 83' ' ' HIS . 14.7 ttt180 -44.32 -56.0 4.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.6 m170 -95.17 36.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -59.68 -144.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -157.05 169.68 34.22 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 22.9 mttt -41.5 -37.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -109.31 109.39 20.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.609 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -100.99 119.52 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' A' ' 11' ' ' THR . 31.5 ttm180 -112.72 141.47 46.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.782 ' HD1' HG22 ' A' ' 64' ' ' VAL . 46.5 m-85 -140.25 134.12 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 63' ' ' GLU . 33.1 tp -96.93 90.99 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 t -88.83 150.48 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.889 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -118.98 143.18 47.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 95.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -86.75 169.47 12.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -87.21 173.79 9.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.551 HG12 ' CD ' ' A' ' 101' ' ' LYS . 69.9 t -67.86 -49.53 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -43.04 -55.54 3.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -38.32 -58.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -54.91 -53.54 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' CD ' HG12 ' A' ' 97' ' ' VAL . 17.3 mtpt -44.85 -47.08 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 17.7 mttt -59.26 -37.67 78.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.9 mm -70.1 -30.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 18.9 m170 -61.25 152.82 27.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.0 m -101.44 92.81 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.6 157.42 14.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.15 37.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.1 p -152.25 168.9 23.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.8 m -101.24 87.77 3.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.981 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.1 145.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m 63.17 129.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.43 108.92 0.35 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.19 167.85 9.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -166.71 170.05 12.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.87 -145.96 20.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 16.3 p90 -124.73 142.3 51.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 92' ' ' VAL . 49.4 t -93.86 154.62 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 92' ' ' VAL . 33.2 p90 -142.84 138.1 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.3 m -84.55 162.5 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.031 HG11 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -142.54 111.7 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.93 116.98 33.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.1 mt -128.88 170.69 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.41 124.56 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -58.01 107.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.6 -176.76 16.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -102.73 -18.54 15.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.07 46.04 2.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.07 -156.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.97 55.18 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.744 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -116.91 101.33 8.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 111.048 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -73.12 69.71 1.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.744 HD21 ' SD ' ' A' ' 23' ' ' MET . 12.4 mt -74.92 154.98 37.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB2' ' A' ' 41' ' ' GLN . 4.3 tt -149.87 154.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' MET . 33.6 t0 -73.97 120.4 19.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.8 -29.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.6 mmm -63.74 -49.35 73.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.5 m170 -56.27 -33.09 65.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.543 HG21 HD13 ' A' ' 103' ' ' ILE . 21.5 p -86.03 171.66 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -16.41 62.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HD2' ' A' ' 102' ' ' LYS . 2.3 tp -50.22 -29.38 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.08 25.59 1.83 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' C ' ' SD ' ' A' ' 29' ' ' MET . . . -127.78 145.96 56.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -74.97 134.86 18.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.62 27.41 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -115.38 140.33 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 24.7 m-85 -150.89 169.62 21.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 25' ' ' LEU . 53.0 mt -93.22 130.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.631 ' O ' HD13 ' A' ' 57' ' ' LEU . 3.3 tt0 -108.29 -37.67 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -148.02 175.5 10.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 55' ' ' LEU . 19.6 mt -140.75 98.03 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -44.34 141.96 2.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.99 148.53 35.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.56 12.73 34.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.147 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 p -93.06 170.33 8.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.617 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.95 -39.06 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 23' ' ' MET . . . -61.29 -17.35 53.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.45 -43.58 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.52 -37.2 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.659 ' HB2' HD21 ' A' ' 14' ' ' LEU . 12.4 t70 -60.4 -57.37 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.24 -59.4 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -40.86 -56.22 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.031 HD13 HG11 ' A' ' 12' ' ' VAL . 1.9 mp -40.34 114.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -117.55 179.81 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 41' ' ' GLN . 9.7 mt -89.23 130.53 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.83 -18.08 44.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' HB2' HD12 ' A' ' 40' ' ' ILE . 45.6 m-20 -44.27 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HD3' HD21 ' A' ' 62' ' ' LEU . 20.3 ttt180 -134.65 119.99 19.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.5 mm -76.83 129.37 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.524 HD21 ' HD3' ' A' ' 60' ' ' ARG . 49.8 mt -107.14 -36.99 6.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -136.03 161.32 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.073 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -144.87 113.74 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 56.78 33.04 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 26.72 67.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' SER . 0.9 OUTLIER -119.73 104.53 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.027 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' SER . 43.2 m -38.4 118.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.025 HD21 ' HB2' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -94.23 44.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.4 mt -102.64 115.76 31.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 105.06 -56.94 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.572 ' HB2' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -39.02 114.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.07 -142.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.579 1.174 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 64.8 t80 -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 0.798 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 75' ' ' LEU . 6.7 mt -89.04 -37.09 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -58.05 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 1.025 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -53.22 -49.92 65.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 5.4 p -60.82 -42.63 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.79 -39.5 77.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.5 mt -59.01 -57.32 13.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.073 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -64.8 -36.3 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HG2' ' CD2' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -63.68 -51.23 65.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 59.1 m170 -90.89 35.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.66 -144.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.94 62.05 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.58 -78.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -67.09 107.53 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 71.0 mmm -114.38 120.22 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -117.33 143.47 45.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CD1' HG22 ' A' ' 64' ' ' VAL . 15.7 m-85 -142.38 138.84 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.85 90.02 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 t -87.7 150.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.61 144.86 47.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.7 96.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.34 173.75 8.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.9 166.28 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.3 m -61.6 -50.76 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.482 ' N ' HG23 ' A' ' 97' ' ' VAL . 43.7 mm-40 -40.94 -58.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -40.91 -44.15 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.728 ' HB1' ' NE2' ' A' ' 104' ' ' HIS . . . -73.67 -39.92 64.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' GLU . 39.6 mttt -48.04 -38.33 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' HD12 ' A' ' 33' ' ' LEU . 13.6 mttt -74.03 -33.26 63.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.543 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -73.96 -31.34 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.728 ' NE2' ' HB1' ' A' ' 100' ' ' ALA . 9.9 p80 -144.04 104.58 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' GLY . 70.4 p -123.45 170.64 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 105' ' ' SER . . . 37.9 82.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.22 166.92 10.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.9 p -108.56 108.08 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -73.39 -58.41 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -162.46 170.52 18.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.99 163.96 31.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.99 152.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.26 148.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.51 158.84 20.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 27.3 p90 -101.14 138.46 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 92' ' ' VAL . 25.1 t -92.35 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.1 p90 -142.8 138.88 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -83.89 162.3 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -142.13 112.72 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.36 103.12 13.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 12' ' ' VAL . 2.9 mm? -109.22 158.49 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -112.13 110.44 20.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -38.85 106.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.95 -171.65 31.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.32 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -114.27 -6.01 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 86.49 48.32 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.3 OUTLIER 83.32 -137.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 169.68 75.19 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -144.31 122.81 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 0.782 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.71 78.37 0.91 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.55 149.15 47.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 41' ' ' GLN . 4.4 tt -143.37 153.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' HA ' HD23 ' A' ' 38' ' ' LEU . 3.3 p-10 -76.61 123.86 26.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -48.18 -22.9 2.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -27.89 62.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -78.46 -38.13 41.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HD13 ' A' ' 103' ' ' ILE . 5.2 p -79.85 151.04 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.436 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLY . 4.3 m80 -39.61 -35.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.612 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -39.77 -32.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 46.03 24.78 1.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -111.53 155.31 43.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.35 30.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.6 172.8 13.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 27.2 mt -113.33 145.96 40.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 9.9 m-85 -143.83 161.84 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.433 HD11 ' HG ' ' A' ' 55' ' ' LEU . 26.3 mt -75.55 123.79 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 3.8 tt0 -104.32 -31.36 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -153.2 166.14 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.2 mt -143.0 123.86 14.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.766 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -64.63 159.14 63.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.766 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.0 -70.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.3 4.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 3.8 p -128.98 162.7 50.39 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.809 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.474 ' CD ' ' HA ' ' A' ' 21' ' ' LEU . 18.5 Cg_endo -74.96 -40.69 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . -60.17 -24.11 64.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . -94.4 -32.6 13.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.32 71.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -59.47 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . 108.11 -53.15 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -38.42 -49.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -58.68 112.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.46 135.64 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -40.42 133.12 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.46 34.79 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 16.5 m-20 -74.62 157.61 35.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 16.5 ttt180 -126.35 119.9 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.691 HD13 ' HB ' ' A' ' 92' ' ' VAL . 13.0 mm -77.94 146.9 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 91' ' ' LEU . 40.8 mt -118.27 -48.18 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -128.92 163.68 24.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 81' ' ' ILE . 2.0 t -144.72 106.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.408 ' ND2' ' HA2' ' A' ' 84' ' ' GLY . 15.5 m-20 62.75 25.26 15.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.79 30.38 35.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.8 103.57 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -46.86 120.68 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -105.23 44.47 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.4 mt -105.53 83.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.88 -16.31 10.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 76' ' ' ARG . 6.9 mt -67.83 124.15 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.51 160.87 3.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 1.038 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.0 t80 -55.39 -47.74 75.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.37 -52.54 63.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB3' HD22 ' A' ' 72' ' ' LEU . 5.4 mmt180 -50.26 -37.68 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.904 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -72.78 -49.32 31.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 74' ' ' TYR . 44.5 t -51.29 -47.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.24 -50.0 75.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 72' ' ' LEU . 22.2 mt -46.18 -50.82 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.823 HD11 HG21 ' A' ' 64' ' ' VAL . 1.8 mp -68.0 -42.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -52.06 -55.2 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -92.61 35.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.63 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' ND2' ' A' ' 65' ' ' ASN . . . -37.55 -91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.03 54.47 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt 71.46 -63.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -97.79 111.84 23.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.25 133.9 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.71 ' HD1' HG22 ' A' ' 64' ' ' VAL . 38.5 m-85 -131.69 133.99 45.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 tp -104.26 89.52 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.691 ' HB ' HD13 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -103.45 156.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.26 157.58 18.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 96.06 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.11 178.89 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.1 160.69 14.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 98' ' ' GLU . 7.5 p -52.06 -57.84 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.573 ' N ' HG13 ' A' ' 97' ' ' VAL . 11.5 mt-10 -42.76 -57.66 2.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.532 HG23 HD11 ' A' ' 33' ' ' LEU . 1.3 m -45.03 -35.06 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 97' ' ' VAL . . . -73.41 -42.03 62.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 98' ' ' GLU . 20.9 mttt -45.65 -51.75 11.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 4.3 mttt -56.1 -40.61 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.502 HD13 HG21 ' A' ' 31' ' ' THR . 2.0 mm -63.9 -17.53 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -106.36 107.07 17.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -40.0 -43.31 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.85 100.78 2.67 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 m 61.82 118.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 t -112.64 145.22 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -159.11 170.43 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 170.59 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.66 179.57 16.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -164.92 144.36 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.937 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.01 163.98 38.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.13 159.43 8.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 5.1 p90 -130.67 155.72 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 10' ' ' PHE . 38.1 t -103.37 163.4 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CE1' HG22 ' A' ' 92' ' ' VAL . 37.2 p90 -147.4 137.92 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.4 m -83.88 159.9 21.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG21 HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -138.51 111.79 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -104.22 108.51 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.847 HD21 ' HB2' ' A' ' 52' ' ' ASP . 1.3 mt -122.18 174.06 7.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 86' ' ' LYS . 10.6 tt0 -126.23 112.82 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -37.96 108.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 -173.06 48.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.87 8.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -110.3 -22.38 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 46.15 3.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.7 OUTLIER 77.73 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 44' ' ' LEU . . . 74.53 63.6 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -127.75 104.7 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.781 . . . . 0.0 111.004 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' GLN . . . -67.33 73.03 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 HG12 ' A' ' 40' ' ' ILE . 12.3 mt -83.32 129.44 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tt -125.93 158.21 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -73.53 120.57 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.541 ' HA3' ' CE1' ' A' ' 39' ' ' TYR . . . -41.96 -29.69 0.6 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.95 -42.83 80.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASP . 4.1 m-70 -61.05 -38.64 86.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 p -81.26 155.77 25.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -44.27 -30.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.565 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.3 tp -40.02 -41.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.08 14.22 31.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.6 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -105.83 155.03 38.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.43 40.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.09 170.82 25.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 4.2 mm? -100.57 148.55 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 60' ' ' ARG . 19.9 m-85 -143.24 148.51 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.576 HG21 ' CD2' ' A' ' 43' ' ' LEU . 7.3 mt -70.96 128.99 34.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -113.21 -29.46 7.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -154.82 149.85 26.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.792 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -114.41 136.12 53.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.14 137.73 37.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 151.46 39.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 15.88 23.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.4 p -97.33 166.61 13.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.588 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 -36.01 2.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.63 -62.56 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.792 ' HB2' HD12 ' A' ' 43' ' ' LEU . . . -58.44 -47.49 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 47' ' ' SER . . . -44.32 -46.42 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB2' HD21 ' A' ' 14' ' ' LEU . 24.6 t70 -46.85 -40.2 13.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . 87.53 -55.51 4.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.09 -41.21 16.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -66.51 105.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -126.42 143.41 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' CD1' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -44.49 137.25 3.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.28 -24.57 28.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' HB3' HG21 ' A' ' 92' ' ' VAL . 5.9 m-20 -53.38 153.74 3.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 24.9 ttt180 -124.58 122.8 38.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.593 HD13 ' HB ' ' A' ' 92' ' ' VAL . 11.2 mm -79.35 151.5 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LEU . 56.8 mt -123.46 -46.9 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -131.78 158.47 41.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.041 HG21 HD11 ' A' ' 81' ' ' ILE . 2.3 t -141.09 111.04 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.32 12.89 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.72 37.31 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.97 112.06 15.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 0.732 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -51.84 117.92 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -93.65 31.52 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.1 mt -94.4 99.86 11.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.97 -32.43 7.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 69' ' ' LEU . 13.5 mt -51.51 127.1 19.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.47 -161.95 0.17 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.63 -33.88 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.498 ' HA ' HG12 ' A' ' 78' ' ' VAL . 13.3 mt -78.46 -22.96 46.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' HB3' HD22 ' A' ' 72' ' ' LEU . 13.2 mmt-85 -83.11 -43.85 15.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.48 -44.29 75.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 75' ' ' LEU . 9.9 p -61.02 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 78' ' ' VAL . 9.7 t70 -57.29 -42.91 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 72' ' ' LEU . 25.3 mt -51.83 -58.76 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.041 HD11 HG21 ' A' ' 64' ' ' VAL . 2.2 mp -65.61 -48.66 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -50.37 -53.76 26.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.06 35.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 109.616 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.75 -141.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.03 32.61 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 10.8 mttm -45.46 -37.91 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -108.96 116.64 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.56 120.1 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -109.17 133.86 52.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.775 ' HD1' HG22 ' A' ' 64' ' ' VAL . 36.3 m-85 -131.48 135.84 47.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' LEU . 18.3 tp -106.69 90.23 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -103.24 149.24 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.49 173.52 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -88.7 97.39 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -84.87 176.42 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -122.08 178.81 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 98' ' ' GLU . 34.1 m -60.38 -52.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -41.32 -51.93 3.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -53.03 -41.01 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' VAL . . . -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -43.91 -44.59 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.564 ' HD2' HD12 ' A' ' 33' ' ' LEU . 5.3 mttt -72.48 -38.37 68.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.427 HG23 ' OE1' ' A' ' 41' ' ' GLN . 1.6 mm -64.14 -24.88 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -105.22 166.62 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.582 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 145.87 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.35 98.89 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -44.85 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 t -49.27 -54.29 17.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 124.07 28.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.63 98.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.964 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.96 159.18 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.24 143.66 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.24 -56.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 p -166.36 142.81 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.5 153.3 8.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 9' ' ' VAL . 2.5 t80 -131.27 161.0 33.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 92' ' ' VAL . 37.7 t -130.68 151.05 35.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 36.5 p90 -141.46 137.87 32.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -85.37 158.42 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -140.04 120.44 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -109.95 102.67 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD11 ' OD1' ' A' ' 52' ' ' ASP . 3.1 mm? -106.3 158.22 17.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -102.27 105.45 16.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.92 126.75 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.36 -175.07 31.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.22 21.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 m -112.44 -24.06 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 21' ' ' LEU . . . 145.77 -116.04 0.87 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER -141.26 14.55 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' HA3' ' CB ' ' A' ' 47' ' ' SER . . . 47.45 59.05 6.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.406 ' SD ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -136.51 100.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -69.44 70.36 0.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 ' SD ' ' A' ' 23' ' ' MET . 18.2 mt -77.13 135.29 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 tt -129.4 155.74 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' HIS . 49.9 t0 -72.3 116.93 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.07 0.3 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.95 -47.69 79.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -54.61 -40.41 68.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.586 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 HD13 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -79.91 149.72 30.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' GLY . 2.2 t60 -39.04 -32.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.64 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tp -41.13 -29.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 32' ' ' HIS . . . 42.92 26.25 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -113.76 151.77 44.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.1 25.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 125.45 165.07 11.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -100.09 150.87 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 60' ' ' ARG . 35.6 m-85 -150.89 145.95 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.692 HD11 HD22 ' A' ' 55' ' ' LEU . 30.9 mt -63.11 142.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -124.52 -40.97 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.12 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD12 ' CA ' ' A' ' 50' ' ' ALA . 2.3 mm? -119.27 111.62 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -61.92 141.45 95.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 144.53 30.42 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.01 13.58 59.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.493 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -93.6 172.22 6.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -61.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.773 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -44.64 -45.87 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.772 ' CA ' HD12 ' A' ' 43' ' ' LEU . . . -61.04 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.07 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.51 ' OD1' HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -47.25 -53.84 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.2 -62.4 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -44.65 -41.03 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.773 HD13 ' HB1' ' A' ' 49' ' ' ALA . 34.9 mt -58.93 108.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.1 m -104.36 163.69 12.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.726 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.3 mt -77.84 126.54 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.44 -14.67 39.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.508 ' HB3' HG13 ' A' ' 92' ' ' VAL . 85.1 m-20 -45.89 167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.3 ttt180 -135.45 134.95 40.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.464 ' O ' HD23 ' A' ' 62' ' ' LEU . 13.5 mm -87.29 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 93' ' ' ALA . 21.7 mt -119.54 -40.76 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' OE1' HD22 ' A' ' 91' ' ' LEU . 83.3 mt-10 -138.5 161.4 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 81' ' ' ILE . 2.2 t -150.28 113.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.28 15.26 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.72 19.83 50.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.9 102.79 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -39.41 111.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.051 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.88 63.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 71' ' ' GLY . 40.8 mt -84.36 98.89 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' LEU . . . 33.81 55.92 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.779 HD11 ' CB ' ' A' ' 76' ' ' ARG . 0.2 OUTLIER -84.18 154.18 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.7 ' H ' HD12 ' A' ' 72' ' ' LEU . . . -31.94 125.07 0.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' O ' HG12 ' A' ' 78' ' ' VAL . 65.7 t80 -47.25 -44.99 23.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 75' ' ' LEU . 6.0 mt -68.29 -23.33 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.779 ' CB ' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.53 -55.92 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.672 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -55.52 -42.06 74.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 74' ' ' TYR . 9.8 p -62.89 -46.79 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 78' ' ' VAL . 11.5 t70 -54.33 -54.49 39.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 80' ' ' LEU . 12.9 mt -41.11 -62.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.623 HD11 HG21 ' A' ' 64' ' ' VAL . 1.7 mp -61.42 -53.98 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -53.27 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -91.48 36.19 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.17 -129.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -172.02 169.44 42.53 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' GLY . 67.3 mttt -40.33 -36.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 113.72 24.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -111.38 129.28 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.695 HH21 HD13 ' A' ' 91' ' ' LEU . 2.1 tmt_? -116.22 144.73 43.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CD1' HG22 ' A' ' 64' ' ' VAL . 38.1 m-85 -144.58 124.93 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.695 HD13 HH21 ' A' ' 89' ' ' ARG . 15.4 tp -88.29 92.18 9.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.737 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.2 t -88.26 153.23 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.68 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.92 134.18 54.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 95.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.39 -176.89 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.74 155.52 17.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 98' ' ' GLU . 19.2 m -44.32 -47.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' N ' HG23 ' A' ' 97' ' ' VAL . 33.3 mt-10 -40.26 -61.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.42 -47.52 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.55 -44.58 77.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -47.01 -57.07 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -57.86 -35.31 70.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 HG21 ' A' ' 31' ' ' THR . 1.7 mm -66.8 -39.04 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 105' ' ' SER . 0.0 OUTLIER 49.15 -175.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.639 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.522 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 49.9 m -146.72 -66.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.32 -149.05 5.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.09 15.1 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 t -161.11 145.2 13.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.95 131.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -87.45 -58.24 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.781 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.15 -57.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.88 -155.78 21.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.098 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.99 130.28 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.962 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -138.69 -63.78 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.11 142.46 17.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.52 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 33.5 p90 -110.89 168.9 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -121.66 162.52 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.632 ' CE1' HG22 ' A' ' 92' ' ' VAL . 33.8 p90 -145.9 149.25 33.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.7 m -90.96 158.09 16.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -140.87 111.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.08 113.51 26.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -124.55 170.48 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.07 119.0 37.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 111.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.32 -175.93 37.8 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.52 18.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -101.64 -23.57 14.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.22 1.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD11 ' SD ' ' A' ' 88' ' ' MET . 0.6 OUTLIER 75.14 -140.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 49' ' ' ALA . . . 174.55 78.14 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.2 mtm -150.54 128.49 11.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -96.21 78.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' H ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -76.93 155.55 32.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' A' ' 41' ' ' GLN . 1.6 tt -164.2 147.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 55.0 p30 -71.45 155.94 40.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA3' HD23 ' A' ' 33' ' ' LEU . . . -83.74 37.3 2.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 36' ' ' PRO . 54.0 mmm -102.59 -51.83 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.787 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 1.063 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -76.0 -28.9 57.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.063 HG23 ' CD2' ' A' ' 30' ' ' HIS . 16.9 p -80.07 158.06 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.438 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.14 -23.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD23 ' HA3' ' A' ' 28' ' ' GLY . 6.4 tp -39.47 -59.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.97 16.62 79.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -131.0 142.35 45.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 18.2 Cg_endo -74.99 131.76 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.563 1.822 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . 168.29 -160.53 34.09 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CG ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -129.76 140.21 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CZ ' HD21 ' A' ' 33' ' ' LEU . 4.9 m-85 -159.25 159.41 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 36.5 mt -82.1 139.54 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HB2' HG22 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -116.02 -39.78 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.417 ' O ' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -147.48 164.51 33.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 50' ' ' ALA . 3.2 mm? -123.42 99.36 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -40.17 142.52 0.71 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 158.39 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.14 27.3 0.64 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.466 ' CB ' ' HA3' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -101.66 171.13 5.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.048 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -52.72 -58.0 8.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' N ' HD12 ' A' ' 43' ' ' LEU . . . -52.45 -41.54 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.54 -34.23 77.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB2' HD21 ' A' ' 14' ' ' LEU . 19.1 t70 -47.21 -38.91 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.03 -55.02 4.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.13 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -50.4 -48.3 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 40' ' ' ILE . 23.3 mt -55.79 104.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -101.4 169.6 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.793 ' CD2' HD23 ' A' ' 43' ' ' LEU . 10.0 mt -82.18 132.98 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.18 -23.49 33.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' TYR . 99.0 m-20 -43.33 159.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 ttt180 -122.07 122.32 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 mm -77.18 146.68 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 93' ' ' ALA . 41.6 mt -121.65 -45.27 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.601 ' OE2' HD23 ' A' ' 91' ' ' LEU . 41.0 mt-10 -130.97 162.17 30.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 81' ' ' ILE . 2.1 t -144.62 105.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.95 18.8 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.67 33.02 28.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 102.08 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 m -38.94 127.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.988 HD21 HD12 ' A' ' 80' ' ' LEU . 10.5 mt -116.75 36.25 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.6 mt -92.87 108.57 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.66 -25.67 22.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 69' ' ' LEU . 8.6 mt -67.15 135.43 53.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.99 149.28 51.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 78' ' ' VAL . 10.0 t80 -42.66 -50.84 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.6 -57.42 11.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.3 mmt-85 -52.07 -38.34 56.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 69' ' ' LEU . . . -69.51 -38.89 77.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 74' ' ' TYR . 79.5 t -57.18 -53.45 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 11.2 t70 -47.08 -50.37 19.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.988 HD12 HD21 ' A' ' 69' ' ' LEU . 14.4 mt -48.86 -58.1 5.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.95 HD11 HG21 ' A' ' 64' ' ' VAL . 1.3 mp -60.07 -42.49 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG3' HG12 ' A' ' 78' ' ' VAL . 1.5 mmp_? -54.43 -57.86 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' ND1' ' OD1' ' A' ' 79' ' ' ASP . 26.5 m80 -91.3 36.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 83' ' ' HIS . . . -36.63 -92.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . . . 144.49 58.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp 68.25 -64.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLY . 3.1 mttp -93.72 111.48 23.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.59 119.56 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.3 ttt180 -113.34 150.43 32.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.759 ' HD1' HG22 ' A' ' 64' ' ' VAL . 33.3 m-85 -148.62 128.95 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 9' ' ' VAL . 20.9 tp -99.12 92.84 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -101.95 139.43 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -95.44 141.89 28.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.21 95.72 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 167.12 11.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.94 169.53 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.1 t -62.68 -38.1 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LYS . 4.6 mt-10 -46.79 -60.81 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLU . 1.9 m -38.69 -39.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' ILE . . . -77.56 -45.45 25.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' GLU . 7.8 mttm -39.77 -49.76 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 1.1 mttt -61.88 -45.65 92.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ALA . 2.0 mm -62.17 -29.05 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' ALA . 55.0 m170 -75.84 124.41 27.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.0 p -63.15 -61.19 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.5 71.15 1.05 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -42.88 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.771 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.6 p -112.3 150.71 30.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.06 121.65 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.35 -60.26 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -77.44 -177.47 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 146.09 4.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.97 159.11 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.21 173.23 45.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 94' ' ' LYS . 14.0 p90 -108.89 140.45 42.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG11 HD12 ' A' ' 62' ' ' LEU . 39.6 t -94.6 158.97 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 54' ' ' ARG . 34.4 p90 -148.07 138.33 22.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -85.2 162.8 19.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.856 HG11 ' CD1' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -139.93 111.19 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -107.13 108.15 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -116.53 171.04 8.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.43 117.78 32.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LYS . 2.5 ttt180 -40.78 120.65 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.42 -173.72 33.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.91 21.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 m -96.23 -14.07 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LEU . . . 87.1 41.36 6.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.854 HD21 ' HG3' ' A' ' 88' ' ' MET . 0.4 OUTLIER 86.77 -42.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 55.54 22.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.092 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.786 ' SD ' HD21 ' A' ' 25' ' ' LEU . 1.2 ttm -120.37 101.83 8.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLN . . . -68.69 66.75 0.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.786 HD21 ' SD ' ' A' ' 23' ' ' MET . 17.7 mt -71.39 144.9 49.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' HB2' ' A' ' 41' ' ' GLN . 3.5 tt -144.16 152.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.6 t0 -72.57 126.02 28.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.38 -27.42 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 35' ' ' ALA . 15.4 mmm -70.83 -44.88 65.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' ASP . 11.2 m170 -61.03 -13.57 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 p -107.34 159.79 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -54.49 -20.23 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.616 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 35' ' ' ALA . 2.1 tp -44.69 -35.82 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.04 23.46 31.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 33' ' ' LEU . . . -125.18 146.97 55.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -74.99 131.87 14.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.527 ' C ' HD22 ' A' ' 38' ' ' LEU . . . 152.97 177.02 26.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.595 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 3.9 mm? -113.54 141.73 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 7.9 m-85 -149.05 159.05 44.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG12 ' CD2' ' A' ' 25' ' ' LEU . 63.3 mt -82.44 121.84 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -95.87 -31.65 13.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -153.57 165.47 35.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.756 HD12 ' CD1' ' A' ' 57' ' ' LEU . 4.5 mt -143.09 130.22 20.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.55 HD23 ' HD2' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -78.09 156.27 79.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HD2' HD23 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.24 49.64 4.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 p -128.95 160.41 63.6 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.04 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.7 -21.71 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.32 -32.57 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.17 -42.24 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.775 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.0 t70 -55.11 -60.4 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.61 -52.73 0.62 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -47.11 -45.45 22.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.285 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.856 ' CD1' HG11 ' A' ' 12' ' ' VAL . 1.5 mp -55.76 108.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -133.74 142.6 48.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.756 ' CD1' HD12 ' A' ' 43' ' ' LEU . 1.4 mp -44.47 125.54 4.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.7 -12.65 20.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.585 ' OD2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -52.23 164.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -132.47 112.02 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -76.72 127.64 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 93' ' ' ALA . 30.1 mt -109.91 -32.12 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -145.28 159.08 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.03 HG21 HD11 ' A' ' 81' ' ' ILE . 1.4 t -140.13 109.92 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 66.43 19.02 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.93 21.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.42 126.3 52.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 p -57.42 131.13 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 77' ' ' ALA . 11.9 mt -123.66 54.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.5 mt -100.27 -68.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.23 12.66 67.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 76' ' ' ARG . 8.0 mt -92.21 117.87 30.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.83 -166.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.808 ' CE2' HG21 ' A' ' 78' ' ' VAL . 79.3 t80 -75.48 -67.48 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 74' ' ' TYR . 7.5 mp -45.87 -44.63 14.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.686 ' HB3' HD22 ' A' ' 72' ' ' LEU . 21.1 mmt180 -54.75 -43.82 73.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.704 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -78.62 -32.29 47.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.808 HG21 ' CE2' ' A' ' 74' ' ' TYR . 56.6 t -66.32 -46.79 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.78 -33.79 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -61.55 -54.01 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.03 HD11 HG21 ' A' ' 64' ' ' VAL . 2.0 mp -67.51 -27.99 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -64.19 -55.12 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -91.55 35.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.49 -135.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -158.5 -176.59 30.72 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ARG . 11.4 mttm -39.31 -47.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 134.21 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.854 ' HG3' HD21 ' A' ' 21' ' ' LEU . 2.0 mtp -107.09 128.28 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -103.54 138.93 39.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.678 ' HD1' HG22 ' A' ' 64' ' ' VAL . 29.2 m-85 -138.84 137.35 36.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.5 tp -96.06 89.15 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' OD2' ' A' ' 59' ' ' ASP . 35.7 t -89.06 157.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB2' HD11 ' A' ' 62' ' ' LEU . . . -122.43 167.15 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.45 95.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.6 m -82.18 167.56 18.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -107.16 167.71 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 98' ' ' GLU . 35.1 m -60.81 -51.3 74.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.492 ' N ' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.11 -49.63 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -49.96 -43.79 50.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.34 88.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -46.78 -55.15 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.68 -39.19 73.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.3 mm -63.37 -36.67 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -149.63 109.66 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 m -96.55 -65.22 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.41 168.96 44.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.46 42.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.1 t 71.41 149.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.6 t -78.96 146.39 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 0 0 . 1 stop_ save_