data_1zxa_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 1zxa _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 ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -60.46 -44.89 95.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.4 -42.49 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 109.945 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.03 -47.34 86.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 108.562 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.65 -52.88 58.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.064 -1.023 . . . . 0.0 108.999 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.26 -36.21 40.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 108.906 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.72 -41.57 99.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 108.881 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.05 -40.43 97.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.322 -0.861 . . . . 0.0 109.378 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.38 -37.87 80.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.303 -0.873 . . . . 0.0 109.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -42.96 99.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.092 -1.005 . . . . 0.0 109.168 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 85.5 mt -65.64 -69.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.418 -0.802 . . . . 0.0 109.986 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 54.9 mtpt -40.89 -46.88 2.86 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.614 -0.679 . . . . 0.0 110.26 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.18 -44.8 95.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.999 -1.063 . . . . 0.0 109.031 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.13 -35.7 71.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -62.98 -40.86 99.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.0 109.315 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -65.05 -42.89 93.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 0.0 109.714 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -68.02 -38.23 82.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.36 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 108.951 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.3 p -64.08 -37.93 89.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 109.326 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -65.92 -40.7 91.7 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -63.98 -43.8 94.64 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.319 -0.863 . . . . 0.0 109.076 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -57.84 -42.75 85.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.169 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.23 -35.88 80.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.314 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -67.29 -52.21 43.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.271 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 HD13 HG21 ' A' ' 33' ' ' ILE . 96.9 mt -51.52 -36.28 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.865 -1.147 . . . . 0.0 109.109 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.16 -43.24 74.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 109.89 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.27 -42.79 96.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.753 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -42.03 92.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 108.509 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.58 -41.33 94.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.331 -0.856 . . . . 0.0 109.281 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -39.63 91.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.34 -50.44 73.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.264 -0.898 . . . . 0.0 109.473 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mm? -67.05 -33.46 75.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.324 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.81 -48.83 78.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -64.5 -43.91 92.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.466 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.1 m -48.78 -50.17 35.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.27 -0.894 . . . . 0.0 109.548 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.153 0.501 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -49.76 -58.36 5.5 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.927 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.38 -37.29 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.388 -0.82 . . . . 0.0 110.426 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.73 -43.84 94.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.106 -0.996 . . . . 0.0 110.051 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 82.6 mmm -68.32 -51.38 45.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.928 -1.107 . . . . 0.0 109.292 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.51 -45.24 36.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.194 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -62.73 -40.06 96.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 0.0 109.407 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.39 -37.73 87.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.342 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.14 -36.46 79.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.377 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -63.41 -43.08 98.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.124 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' B' ' 20' ' ' LYS . 84.3 mt -66.94 -68.02 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.305 -0.872 . . . . 0.0 109.325 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 19' ' ' ILE . 50.2 tttp -40.68 -45.03 2.29 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.706 -0.621 . . . . 0.0 109.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -59.36 -46.51 88.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 108.782 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -37.06 81.31 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.08 -40.48 85.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.163 -0.961 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -66.76 -45.25 79.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.726 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -65.71 -36.42 83.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.062 -1.024 . . . . 0.0 109.392 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.62 -42.03 99.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.245 -0.91 . . . . 0.0 109.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.3 p -65.54 -38.51 89.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.163 -0.96 . . . . 0.0 109.586 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 109.822 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.68 95.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.558 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -55.96 -49.05 74.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 109.182 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.64 -36.44 78.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.286 -0.884 . . . . 0.0 109.826 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.72 -49.84 60.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.618 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.77 -33.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.766 -1.209 . . . . 0.0 108.944 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.9 -42.92 84.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.852 . . . . 0.0 109.504 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -64.55 -38.23 90.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.885 . . . . 0.0 109.734 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.96 -42.37 90.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -63.01 -42.13 99.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.313 -0.867 . . . . 0.0 109.448 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.488 ' HE ' ' HZ1' ' B' ' 42' ' ' LYS . 79.3 ttt180 -61.01 -41.78 97.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 109.7 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.68 -44.82 96.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.0 109.579 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.434 ' O ' ' SG ' ' B' ' 43' ' ' CYS . 2.9 tt -61.23 -38.36 86.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.03 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -50.13 74.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 0.0 110.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.488 ' HZ1' ' HE ' ' B' ' 38' ' ' ARG . 30.0 mmtm -68.29 -47.26 68.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.123 -0.986 . . . . 0.0 110.239 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 7.3 p -47.79 -43.87 28.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.031 -1.043 . . . . 0.0 109.623 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.574 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 15.3 tm0? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -58.43 -45.97 87.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.392 -0.818 . . . . 0.0 109.569 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.15 -45.94 78.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.314 -0.866 . . . . 0.0 110.194 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.49 -40.97 75.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.948 -1.095 . . . . 0.0 108.775 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.3 mtp -59.05 -50.19 75.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 0.0 108.534 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -55.29 -40.54 71.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 109.76 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -63.45 -42.76 98.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.085 -1.009 . . . . 0.0 109.632 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -64.28 -39.31 93.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.24 -37.23 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 108.87 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -62.09 -49.41 76.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.767 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . 89.5 mt -63.36 -67.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.6 tttm -39.02 -41.44 0.78 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.251 0.548 . . . . 0.0 109.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 25' ' ' ARG . 69.2 tt0 -63.17 -49.58 73.74 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' ILE . 60.7 tp -58.99 -35.48 73.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.801 . . . . 0.0 108.912 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.93 -39.56 93.69 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.404 -0.81 . . . . 0.0 109.762 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -64.54 -45.46 87.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 109.553 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 21' ' ' GLU . 96.3 mtt180 -67.62 -35.07 78.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.478 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -40.91 85.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.872 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.3 t -61.69 -42.24 98.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.94 -38.4 90.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.0 109.403 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -65.25 -44.92 86.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.062 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.16 -45.13 71.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.306 -0.871 . . . . 0.0 109.232 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.42 -31.21 72.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.117 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -69.16 -58.12 4.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mm -55.99 -31.44 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.79 -1.194 . . . . 0.0 109.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.83 -42.57 94.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.31 -0.869 . . . . 0.0 109.249 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.49 -37.13 84.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.567 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -45.18 81.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.323 -0.86 . . . . 0.0 108.955 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.8 -43.26 90.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.939 . . . . 0.0 109.396 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -63.07 -38.46 91.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 109.47 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.59 -47.39 85.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 109.751 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.83 -34.01 77.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.155 -0.965 . . . . 0.0 109.77 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.51 -48.54 80.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.154 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.19 -44.57 91.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.322 -0.861 . . . . 0.0 109.533 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.0 t -49.41 -49.73 43.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.704 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.371 0.605 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.54 -42.62 99.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 0.0 109.763 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.55 -43.2 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.516 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -41.97 91.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 108.643 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -59.52 -50.8 72.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.075 -1.016 . . . . 0.0 109.23 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -50.15 -43.18 51.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.415 -0.803 . . . . 0.0 109.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -60.47 -46.14 91.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -63.48 -40.0 95.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.16 -0.962 . . . . 0.0 109.182 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -62.66 -40.63 97.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.829 . . . . 0.0 109.604 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.97 -42.89 99.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' B' ' 20' ' ' LYS . 76.6 mt -64.72 -68.16 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 0.0 109.966 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 19' ' ' ILE . 65.2 tttm -40.31 -46.22 2.28 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.748 -0.595 . . . . 0.0 110.143 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -60.09 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 0.0 108.856 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -36.62 79.02 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -59.22 -42.09 90.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -68.01 -40.9 82.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.131 -0.98 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -67.08 -37.98 84.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.59 -39.14 84.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -0.83 . . . . 0.0 109.175 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 99.1 p -64.01 -39.82 94.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.141 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.08 -38.14 87.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -64.38 -46.2 84.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.221 -0.925 . . . . 0.0 108.936 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -54.6 -41.69 70.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 0.0 108.971 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.37 -33.44 75.97 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.307 -0.87 . . . . 0.0 109.453 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -71.42 -53.67 13.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.185 -0.947 . . . . 0.0 109.672 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -55.11 -32.71 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.71 -1.244 . . . . 0.0 108.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -67.77 -41.95 82.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -65.1 -38.56 91.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.211 -0.931 . . . . 0.0 109.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -41.84 88.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.861 . . . . 0.0 108.724 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.04 -45.33 87.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -64.45 -40.93 96.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.0 109.415 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -61.46 -41.6 97.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -38.24 82.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.22 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.11 -47.62 82.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -64.43 -43.17 95.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -48.13 -50.9 27.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.308 -0.87 . . . . 0.0 109.569 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.352 -0.843 . . . . 0.0 109.168 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.314 0.578 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -62.31 -45.42 93.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.252 -0.905 . . . . 0.0 109.867 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.43 -41.89 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.102 -0.999 . . . . 0.0 109.298 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.0 -40.4 97.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.296 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 68.8 mtp -64.75 -55.47 19.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.15 30.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 108.763 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.45 -38.8 90.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -66.3 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.487 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -63.92 -38.56 91.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.0 109.484 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.16 -42.26 93.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.303 -0.873 . . . . 0.0 109.593 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' LYS . 91.3 mt -63.58 -68.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' ILE . 9.8 mtmp? -41.51 -42.28 2.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 47.9 tp10 -61.68 -46.84 88.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.05 -37.07 73.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.096 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.42 -42.41 95.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 109.106 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 21' ' ' GLU . 8.1 ttpm? -64.96 -43.93 91.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.382 -0.823 . . . . 0.0 109.485 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.53 -40.18 96.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.416 -0.802 . . . . 0.0 109.531 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.43 -35.46 73.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.123 -0.985 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -61.34 -44.32 97.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.107 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.36 -34.59 72.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.003 -1.061 . . . . 0.0 109.55 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HZ1' ' CD1' ' B' ' 33' ' ' ILE . 18.0 tptm -62.16 -45.63 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.161 -0.962 . . . . 0.0 108.769 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.89 -41.05 97.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 109.32 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.16 -35.63 71.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 109.242 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.26 -49.8 58.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 109.477 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.72 -36.67 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.792 -1.193 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.49 -45.47 83.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.45 -38.0 86.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.444 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.07 -44.59 88.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 0.0 108.834 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -59.02 -43.22 91.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.943 . . . . 0.0 109.357 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' NE ' ' NZ ' ' A' ' 42' ' ' LYS . 45.5 ttt85 -62.73 -42.49 99.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 0.0 109.186 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.71 -44.62 95.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.0 -35.82 81.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.287 -0.883 . . . . 0.0 109.317 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -61.68 -48.17 82.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.889 . . . . 0.0 109.168 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' NZ ' ' NE ' ' A' ' 38' ' ' ARG . 62.5 mttp -63.56 -43.92 95.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.232 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.71 -51.13 30.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.317 -0.864 . . . . 0.0 109.313 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -55.14 37.8 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.817 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 67.2 mt -60.41 -46.09 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 110.387 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.67 -42.9 75.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.951 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 28.4 mtt -66.41 -51.5 56.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.995 -1.066 . . . . 0.0 109.449 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -39.93 15.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.914 . . . . 0.0 108.833 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.817 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 65.0 mmtt -67.74 -41.25 83.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.228 -0.92 . . . . 0.0 108.755 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -43.37 98.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.387 -0.82 . . . . 0.0 110.228 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.24 -35.56 79.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.063 -1.023 . . . . 0.0 109.898 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.98 -43.4 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.074 -1.016 . . . . 0.0 109.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' B' ' 20' ' ' LYS . 38.2 mm -66.86 -64.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 110.016 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' B' ' 19' ' ' ILE . 79.0 tttt -39.65 -43.17 1.31 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.536 -0.727 . . . . 0.0 110.097 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.62 -48.21 81.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.094 -1.004 . . . . 0.0 108.922 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.13 -33.54 74.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.85 -42.55 99.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.19 -40.77 94.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.95 -35.75 78.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.165 -0.959 . . . . 0.0 108.905 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.34 86.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -0.813 . . . . 0.0 108.971 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.0 p -62.37 -39.78 94.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.143 -0.973 . . . . 0.0 109.421 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.48 -39.07 88.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 109.412 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -62.47 -45.25 93.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -0.841 . . . . 0.0 108.976 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -59.59 -38.47 81.3 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.418 -0.801 . . . . 0.0 109.047 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.12 -39.22 89.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.421 -0.799 . . . . 0.0 109.243 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.91 -51.51 47.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.443 ' CD1' ' HZ1' ' A' ' 29' ' ' LYS . 72.7 mt -53.56 -37.88 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.852 -1.155 . . . . 0.0 109.11 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.79 -45.33 78.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 0.0 109.485 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.26 -40.3 97.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 0.0 109.26 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.74 -41.97 82.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.278 -0.889 . . . . 0.0 108.689 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -61.33 -44.8 96.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -0.839 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -64.09 -41.32 97.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.025 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -64.04 -40.3 96.0 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.4 -0.812 . . . . 0.0 109.174 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -36.78 84.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 0.0 108.937 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -62.68 -50.65 70.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 109.15 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.62 -44.52 93.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.2 t -48.25 -45.26 34.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.301 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.277 -0.889 . . . . 0.0 108.988 179.627 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.134 0.492 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.57 -50.33 74.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.135 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 11' ' ' ILE . 30.9 mm -65.65 -38.96 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 0.0 109.374 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -37.63 80.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.602 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.44 -54.97 11.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.53 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -48.24 -39.59 21.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.26 -0.9 . . . . 0.0 109.215 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -65.64 -43.78 88.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.338 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.5 -40.66 96.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.39 90.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.33 -42.61 96.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.027 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LEU . 96.7 mt -63.84 -67.25 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.377 -0.827 . . . . 0.0 109.72 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' ILE . 6.9 ttpm? -36.16 -44.88 0.41 Allowed 'General case' 0 N--CA 1.504 2.242 0 CA-C-O 121.125 0.488 . . . . 0.0 110.504 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -65.79 -44.28 86.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -0.921 . . . . 0.0 109.418 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -61.74 -37.88 85.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 108.945 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.78 -42.64 94.91 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.169 -0.957 . . . . 0.0 109.321 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.91 -42.63 89.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.245 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -65.45 -35.63 81.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.876 . . . . 0.0 109.113 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.6 -40.6 84.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.371 -0.83 . . . . 0.0 109.405 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 m -63.3 -43.09 98.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 0.0 109.169 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.41 -36.88 83.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.359 -0.838 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -63.5 -44.73 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.285 -0.884 . . . . 0.0 109.162 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.45 -40.03 89.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.49 -38.12 88.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.526 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -66.96 -48.63 67.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' CD1' ' HZ1' ' B' ' 29' ' ' LYS . 82.1 mt -54.92 -33.89 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 120.865 -1.147 . . . . 0.0 108.942 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -68.82 -44.05 74.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 109.758 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -43.02 97.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.517 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.0 -42.04 81.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 109.272 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -61.74 -41.97 98.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.804 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.93 -36.72 84.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.905 . . . . 0.0 109.615 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.18 -50.57 73.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.52 -31.61 71.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 109.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.95 -49.55 75.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 109.225 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -63.75 -44.08 94.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.0 109.378 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -49.23 -45.55 44.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.681 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.21 -53.46 56.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.059 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.404 HD11 HG22 ' B' ' 11' ' ' ILE . 18.2 mm -66.3 -41.63 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.025 . . . . 0.0 109.785 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 tp -55.73 -39.33 70.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.1 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.8 mmm -66.69 -49.07 67.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.146 -0.971 . . . . 0.0 109.148 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -43.24 64.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -63.47 -44.51 94.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.112 -0.993 . . . . 0.0 109.855 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.72 -39.38 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.29 -39.68 94.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.57 -0.706 . . . . 0.0 109.535 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -62.06 -42.74 99.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.453 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 81.7 mt -66.05 -68.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.954 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 12.5 ttmm -40.58 -47.31 2.69 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.9 -44.3 94.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.211 -0.931 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 19' ' ' ILE . 15.2 tp -59.86 -35.65 75.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.184 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.63 -42.17 99.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.216 -0.927 . . . . 0.0 109.269 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -64.48 -42.56 95.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 109.074 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -65.47 -39.63 92.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.473 -0.767 . . . . 0.0 109.579 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.0 -37.53 84.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.2 -0.937 . . . . 0.0 109.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.9 t -63.02 -43.78 97.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 109.846 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.28 -39.8 89.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HZ1' ' CD1' ' A' ' 33' ' ' ILE . 18.4 tptm -64.06 -45.19 89.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.243 -0.911 . . . . 0.0 108.852 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.99 -39.22 84.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.436 -0.79 . . . . 0.0 109.048 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -36.94 79.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 0.0 109.2 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.57 -51.95 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.9 mt -52.76 -36.0 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.738 -1.226 . . . . 0.0 109.48 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.73 -43.96 78.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.0 109.637 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.76 -39.06 93.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.37 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.99 -44.47 80.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -59.58 -41.43 90.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.258 -0.901 . . . . 0.0 109.571 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -62.83 -42.0 99.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.986 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -59.89 -46.47 89.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.034 -1.041 . . . . 0.0 110.094 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.68 -34.31 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.084 -1.01 . . . . 0.0 109.841 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -58.67 -48.04 82.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.374 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.13 -43.92 73.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 t -46.78 -42.91 17.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 109.741 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.807 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -61.34 -44.59 96.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.997 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -69.48 -42.81 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.942 . . . . 0.0 110.049 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.79 -37.09 78.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.21 -52.93 56.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.362 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.99 -43.36 63.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.071 -1.018 . . . . 0.0 108.796 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -64.98 -44.69 88.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.211 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.47 -38.61 87.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.378 -0.826 . . . . 0.0 109.791 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.08 -33.51 70.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -61.51 -45.84 92.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.328 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.0 mm -67.11 -63.37 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ILE . 78.9 tttt -38.49 -43.83 0.88 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.714 -0.616 . . . . 0.0 110.011 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.72 -47.38 78.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.06 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -59.92 -38.48 82.48 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -59.22 -39.41 82.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.202 -0.936 . . . . 0.0 108.995 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.46 -42.74 87.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -0.848 . . . . 0.0 109.549 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -67.77 -38.72 83.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.384 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.74 -47.53 79.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 108.614 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -61.46 -39.54 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.093 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -61.78 -44.58 96.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.71 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.96 -43.3 99.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.874 . . . . 0.0 109.727 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -56.11 -44.15 78.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.08 -1.012 . . . . 0.0 109.12 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 109.057 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.47 -54.7 17.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.88 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -34.51 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.744 -1.223 . . . . 0.0 109.071 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -66.86 -45.85 76.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.355 -0.841 . . . . 0.0 109.681 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -63.42 -40.69 97.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.0 109.693 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.27 -42.54 93.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 109.476 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -61.07 -41.14 96.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.064 -1.023 . . . . 0.0 109.548 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.6 -40.16 96.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.88 . . . . 0.0 109.689 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -60.24 -51.53 69.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.77 -32.25 72.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.071 -1.018 . . . . 0.0 109.489 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.97 -49.54 77.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.64 -44.39 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 0.0 109.403 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -48.28 -50.34 30.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.199 -0.938 . . . . 0.0 109.525 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -60.03 -45.53 92.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.619 ' CG2' ' HZ3' ' B' ' 15' ' ' LYS . 1.9 mp -66.72 -41.98 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.728 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.66 -38.18 84.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.108 -0.995 . . . . 0.0 108.716 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.3 mtt -62.88 -54.41 39.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.595 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.61 -42.23 55.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.619 ' HZ3' ' CG2' ' B' ' 11' ' ' ILE . 40.8 mttp -63.75 -42.58 97.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.141 -0.975 . . . . 0.0 109.29 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -65.43 -40.75 93.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.0 109.607 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -64.43 -38.86 92.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.194 -0.941 . . . . 0.0 109.36 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.06 -41.85 99.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' B' ' 20' ' ' LYS . 88.8 mt -66.66 -69.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.615 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 59.1 tttm -39.02 -41.38 0.77 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.702 -0.623 . . . . 0.0 109.879 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' B' ' 25' ' ' ARG . 83.9 tt0 -66.17 -46.34 77.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.878 . . . . 0.0 109.038 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 45.0 tp -61.08 -36.51 79.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.411 -0.806 . . . . 0.0 108.971 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.43 -40.22 95.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.17 -41.2 94.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.355 -0.84 . . . . 0.0 109.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' B' ' 21' ' ' GLU . 97.6 mtt180 -69.24 -36.33 77.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.283 -0.885 . . . . 0.0 109.265 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -45.87 91.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 108.63 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.0 m -61.63 -40.35 94.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.291 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -65.75 -38.85 90.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.362 -0.836 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -63.41 -43.26 98.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.446 -0.784 . . . . 0.0 109.264 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -59.82 -42.53 93.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 108.808 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.22 -54.28 18.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.325 -0.859 . . . . 0.0 109.147 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.0 -35.82 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.833 -1.167 . . . . 0.0 109.098 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.11 -44.25 80.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.501 -0.749 . . . . 0.0 109.601 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.03 -38.45 91.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -44.7 73.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 108.888 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.62 -43.41 98.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -63.32 -35.69 81.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 0.456 ' O ' ' SG ' ' B' ' 43' ' ' CYS . 80.4 tttt -63.75 -52.61 59.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 109.701 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.53 -32.66 74.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -58.05 -47.31 83.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.96 . . . . 0.0 108.882 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -69.67 -43.26 72.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.217 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' B' ' 39' ' ' LYS . 69.3 m -47.48 -45.4 26.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.127 -0.983 . . . . 0.0 109.009 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.609 -0.682 . . . . 0.0 109.198 179.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.247 0.546 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -59.08 -45.66 90.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.27 -0.894 . . . . 0.0 109.828 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mm -65.88 -40.98 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 109.878 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.6 -45.08 95.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.58 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.23 -51.62 65.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.21 -0.931 . . . . 0.0 109.305 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -39.99 54.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 108.836 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HZ2' ' CD1' ' B' ' 12' ' ' LEU . 36.6 ttpt -65.04 -41.56 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.072 -1.018 . . . . 0.0 109.491 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -66.74 -39.99 88.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -61.5 -42.43 98.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.039 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.066 HD12 ' HZ2' ' B' ' 15' ' ' LYS . 90.5 mt -66.76 -66.74 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.849 . . . . 0.0 109.68 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ILE . 20.0 tptp -39.51 -42.57 1.15 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.721 -0.612 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.92 -46.24 88.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.0 108.994 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ILE . 61.9 tp -60.98 -32.71 72.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.893 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -63.8 -43.83 95.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.377 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.4 -40.39 93.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.357 -0.839 . . . . 0.0 109.318 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -46.69 87.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.324 -0.86 . . . . 0.0 108.964 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 m -64.03 -37.71 88.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.28 -0.888 . . . . 0.0 109.127 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -58.99 -49.16 78.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.93 -40.86 95.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.15 -0.968 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.62 -42.11 91.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.445 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.56 -38.52 91.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.422 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -67.97 -48.82 64.78 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.898 . . . . 0.0 109.004 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' ' HZ3' ' B' ' 29' ' ' LYS . 96.7 mt -54.55 -34.27 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.888 -1.132 . . . . 0.0 109.037 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.55 -42.94 81.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.99 -38.88 89.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.08 -41.86 94.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 109.16 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -62.89 -40.58 97.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.318 -0.864 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -62.07 -41.59 98.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -61.87 -47.61 84.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.762 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.91 -34.17 76.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.21 -0.931 . . . . 0.0 109.485 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -62.25 -50.91 69.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 109.367 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.14 -43.36 92.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.939 . . . . 0.0 109.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 t -48.42 -47.04 38.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -0.913 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.307 -0.871 . . . . 0.0 109.392 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.88 -46.39 90.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.519 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.48 -42.54 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.208 -0.932 . . . . 0.0 110.006 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.586 ' CD1' ' HZ2' ' A' ' 15' ' ' LYS . 12.1 tp -59.21 -42.7 91.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 109.71 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -65.44 -54.45 28.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -48.98 -37.26 19.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 1.066 ' HZ2' HD12 ' A' ' 19' ' ' ILE . 14.6 tptm -66.62 -40.8 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.659 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.96 -43.21 91.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.095 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -62.8 -37.34 86.34 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -0.844 . . . . 0.0 109.58 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.07 -45.21 89.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.281 -0.887 . . . . 0.0 109.802 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 22' ' ' LEU . 32.4 mm -67.27 -67.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 19' ' ' ILE . 77.8 tttt -40.28 -42.51 1.54 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.635 -0.665 . . . . 0.0 109.727 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.8 -44.96 95.82 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' B' ' 19' ' ' ILE . 63.6 tp -63.43 -34.11 77.04 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.52 -0.738 . . . . 0.0 109.246 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.34 -43.52 98.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 109.606 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -66.96 -37.76 84.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -67.99 -39.18 83.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.31 -0.869 . . . . 0.0 108.933 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.54 -41.52 92.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.387 -0.82 . . . . 0.0 109.079 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.0 p -65.02 -37.89 89.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.251 -0.906 . . . . 0.0 108.924 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.65 -39.86 73.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.465 ' HZ3' ' CD1' ' A' ' 33' ' ' ILE . 3.6 tmtp? -65.11 -45.93 83.14 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -58.05 -38.73 76.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 108.498 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.96 -36.32 79.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.014 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -68.3 -52.34 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.316 -0.865 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mm -52.24 -35.79 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.821 -1.174 . . . . 0.0 108.668 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.13 -44.52 83.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.384 -0.823 . . . . 0.0 109.295 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.347 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.39 -43.16 86.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.893 . . . . 0.0 108.824 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.73 -44.01 90.34 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.376 -0.827 . . . . 0.0 109.178 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -62.63 -39.55 94.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.392 -0.817 . . . . 0.0 109.326 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -59.84 -44.34 94.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.79 -35.04 79.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.217 -0.927 . . . . 0.0 109.785 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.82 -50.68 72.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.992 . . . . 0.0 109.063 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.05 -43.42 87.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.169 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.29 -49.61 42.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.24 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.23 -47.38 83.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.29 -0.881 . . . . 0.0 110.02 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.3 -40.49 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.179 -0.951 . . . . 0.0 110.011 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.25 -43.84 93.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 109.813 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -61.96 -56.5 18.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.112 -0.992 . . . . 0.0 109.545 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.16 -35.42 26.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 109.098 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -62.58 -45.38 93.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.257 -0.902 . . . . 0.0 109.284 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -59.51 -37.24 77.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.26 -38.54 91.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.335 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -62.59 -45.22 93.88 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LYS . 13.2 mm -63.22 -70.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.082 -1.011 . . . . 0.0 109.651 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ILE . 64.5 tttm -39.17 -41.14 0.81 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.791 -0.568 . . . . 0.0 110.194 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.8 -47.45 75.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.057 -1.027 . . . . 0.0 109.011 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -36.78 71.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.15 -44.21 96.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.941 . . . . 0.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -65.61 -40.51 92.7 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -64.72 -36.38 84.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.362 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.33 -39.68 78.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.076 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -60.01 -43.12 95.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.121 -0.987 . . . . 0.0 109.291 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.12 -40.92 97.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.192 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -47.42 86.35 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.357 -0.839 . . . . 0.0 109.089 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -55.55 -42.4 74.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.19 -37.04 79.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.379 -0.826 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.42 -57.35 6.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 0.0 109.738 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.96 -33.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.714 -1.241 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -64.63 -44.52 90.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.36 -0.838 . . . . 0.0 109.548 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.46 -38.76 92.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.401 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -44.37 84.02 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -58.76 -46.71 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.54 -42.71 95.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -63.97 -37.19 86.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -67.17 -38.94 86.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -62.48 -50.78 70.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.227 -0.921 . . . . 0.0 109.692 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -62.13 -43.24 99.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.9 t -49.27 -47.89 46.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.139 -0.976 . . . . 0.0 109.219 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.333 -0.854 . . . . 0.0 109.176 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.38 -47.79 82.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 109.773 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.03 -44.46 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.65 -40.51 92.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.177 -0.952 . . . . 0.0 109.317 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 65.0 mmm -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.77 -41.42 56.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.12 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -61.49 -42.63 99.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.15 -37.85 86.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.08 -36.99 86.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.21 -0.932 . . . . 0.0 109.525 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -63.94 -46.64 83.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 2.6 mp -65.43 -65.42 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 108.75 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 20' ' ' LYS . 6.4 ttpm? -40.3 -41.94 1.44 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.745 -0.597 . . . . 0.0 109.807 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.19 -47.34 74.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.134 -0.979 . . . . 0.0 108.891 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.03 -33.52 69.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 108.634 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.42 -41.76 93.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -66.2 -44.96 82.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.2 -0.937 . . . . 0.0 109.719 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -66.76 -35.19 79.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.88 -38.33 82.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.243 -0.911 . . . . 0.0 109.265 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -64.63 -40.26 95.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 109.583 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.18 -38.03 87.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.465 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -64.06 -42.97 96.83 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.32 -0.863 . . . . 0.0 109.112 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.26 -43.53 92.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.48 -38.34 77.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.267 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.43 -53.01 26.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.53 -36.34 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.82 -1.175 . . . . 0.0 109.553 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.215 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.58 -35.96 78.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.9 . . . . 0.0 109.5 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.21 -46.41 80.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.326 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.39 -39.62 93.83 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.211 -0.931 . . . . 0.0 109.564 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -63.56 -40.43 96.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.626 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -61.58 -46.58 89.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.232 -0.918 . . . . 0.0 109.546 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.92 -35.55 80.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.103 -0.998 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.06 -51.52 69.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.132 -0.98 . . . . 0.0 109.176 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -67.06 -41.38 86.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 108.91 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 t -44.23 -42.85 6.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.609 -0.682 . . . . 0.0 109.937 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.145 -0.972 . . . . 0.0 109.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -62.06 -45.08 95.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.872 . . . . 0.0 109.861 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 -42.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.05 -38.3 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.134 -0.979 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -64.21 -56.29 15.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.99 -40.23 29.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 0.0 108.867 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -63.0 -42.12 99.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.265 -0.897 . . . . 0.0 109.014 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.74 -38.9 92.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.66 -35.44 80.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 0.0 109.45 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -63.76 -46.42 85.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 30.9 mm -66.58 -65.61 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.0 109.606 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 50.9 tttp -39.16 -43.42 1.07 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.756 -0.59 . . . . 0.0 110.212 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.44 -47.46 83.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.048 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.496 ' CD1' HH21 ' A' ' 25' ' ' ARG . 28.4 tp -62.63 -36.14 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.286 -0.884 . . . . 0.0 109.194 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -60.47 -40.81 92.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.251 -0.906 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -66.69 -40.71 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.348 -0.845 . . . . 0.0 109.141 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.496 HH21 ' CD1' ' A' ' 22' ' ' LEU . 33.0 ttp180 -66.65 -36.58 82.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 0.0 109.06 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -46.55 89.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.389 -0.82 . . . . 0.0 108.854 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.55 -40.33 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.136 -0.977 . . . . 0.0 109.256 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.39 -41.07 96.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.0 109.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -63.81 -49.8 71.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 109.231 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -52.44 -40.06 61.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.75 -37.23 86.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 109.443 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.05 -50.92 60.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 109.811 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.26 -37.73 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.72 -1.238 . . . . 0.0 109.198 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -64.27 -45.08 89.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.53 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.03 -37.54 86.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.732 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -42.22 94.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 0.0 108.987 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -62.08 -44.18 97.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -62.18 -40.8 97.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.905 . . . . 0.0 109.552 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -63.97 -41.2 97.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.873 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.71 -36.29 83.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.884 . . . . 0.0 108.935 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -62.63 -51.08 68.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.767 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -61.13 -46.73 89.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.4 m -48.82 -47.59 42.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.14 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 109.527 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.188 0.518 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' B' ' 10' ' ' LYS . 8.7 mtmp? -62.65 -47.23 84.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.855 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.401 HD13 HG23 ' B' ' 11' ' ' ILE . 18.5 mm -69.12 -45.26 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -42.58 99.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.019 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mmm -60.11 -54.95 39.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.161 -0.962 . . . . 0.0 109.096 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.61 -38.58 46.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.299 -0.876 . . . . 0.0 109.095 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -66.18 -41.52 90.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.187 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -62.99 -37.64 87.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -66.87 -34.85 78.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.268 -0.895 . . . . 0.0 109.118 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -62.1 -47.5 84.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.9 mm -67.36 -65.1 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.247 -0.908 . . . . 0.0 109.648 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.4 tttt -39.68 -46.29 1.82 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.752 -0.592 . . . . 0.0 110.082 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.66 -46.47 90.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.142 -0.973 . . . . 0.0 108.804 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.35 -35.19 75.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.389 -0.819 . . . . 0.0 108.913 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.02 -39.71 93.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.34 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.94 -44.15 85.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.0 109.569 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.71 -36.66 81.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 0.0 109.273 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.44 -44.29 97.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.302 -0.873 . . . . 0.0 109.146 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -63.67 -38.03 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.177 -0.952 . . . . 0.0 108.994 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.5 -44.32 93.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.345 -0.847 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.24 -44.18 97.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -52.11 -48.76 64.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.98 -34.02 75.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.259 -0.901 . . . . 0.0 109.439 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.53 -55.44 11.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -49.82 -36.97 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.807 -1.183 . . . . 0.0 109.28 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.26 -43.86 85.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.75 -40.55 95.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.162 -0.961 . . . . 0.0 110.179 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -43.96 79.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 0.0 109.044 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -56.31 -45.46 80.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.03 -1.044 . . . . 0.0 109.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -63.97 -41.47 97.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.855 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.69 -48.59 78.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.948 . . . . 0.0 109.615 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.48 -33.08 74.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.889 . . . . 0.0 109.089 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.499 ' HD1' ' C ' ' B' ' 41' ' ' HIS . 2.8 t-80 -63.77 -51.97 62.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -59.36 -48.38 81.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.208 -0.933 . . . . 0.0 109.458 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -48.92 -47.86 43.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 0.0 109.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 108.975 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.179 0.514 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -59.46 -46.29 89.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.436 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 11' ' ' ILE . 27.3 mm -67.98 -43.12 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 109.473 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tt -58.24 -43.53 87.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.176 -0.952 . . . . 0.0 108.792 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.35 -54.45 46.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.643 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -44.74 56.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.149 -0.97 . . . . 0.0 108.905 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.22 -41.63 93.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.126 -0.984 . . . . 0.0 109.096 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -64.27 -40.19 95.49 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.353 -0.842 . . . . 0.0 109.593 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.73 -39.36 93.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -60.96 -43.09 99.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.267 -0.896 . . . . 0.0 109.157 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 93.3 mt -64.19 -71.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.78 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ILE . 90.4 mttt -39.36 -39.47 0.66 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.782 -0.574 . . . . 0.0 110.383 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.49 -47.97 81.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.951 -1.093 . . . . 0.0 108.865 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -36.07 81.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.918 . . . . 0.0 108.582 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -59.8 -42.09 92.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.551 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -66.21 -41.31 90.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -66.04 -38.07 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.332 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -42.87 95.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 109.06 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -63.12 -42.67 99.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.967 . . . . 0.0 109.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.78 -40.22 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.282 -0.886 . . . . 0.0 109.783 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -63.26 -42.29 99.15 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.088 -1.008 . . . . 0.0 109.134 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.06 -41.6 88.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.064 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 109.224 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.5 -49.55 66.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.496 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.2 -38.12 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.81 -1.181 . . . . 0.0 109.586 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.29 -44.88 82.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.085 -1.009 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.35 -41.91 90.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -42.93 88.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 108.931 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.59 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.993 . . . . 0.0 110.043 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -61.39 -38.74 88.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.171 -0.955 . . . . 0.0 109.43 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.87 -47.24 84.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.98 -36.02 83.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.743 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.56 -45.8 88.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.175 -0.953 . . . . 0.0 108.677 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -66.43 -46.43 76.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 0.0 109.253 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 t -48.24 -51.54 25.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 109.787 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 109.653 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.145 0.497 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.51 -46.45 86.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.01 . . . . 0.0 109.73 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.54 -40.77 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.866 . . . . 0.0 109.41 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -44.74 96.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.0 108.765 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.68 -54.28 41.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.614 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -41.87 59.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.028 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -62.81 -41.86 99.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.451 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.85 -39.1 87.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.453 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -59.53 -41.36 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -63.91 -43.31 96.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.41 -0.806 . . . . 0.0 109.166 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 22' ' ' LEU . 97.1 mt -63.2 -70.85 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 0.0 109.554 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 62.7 mttm -39.61 -44.75 1.52 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.732 -0.605 . . . . 0.0 109.996 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -63.23 -44.54 94.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.171 -0.955 . . . . 0.0 109.0 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tp -60.77 -37.44 81.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.838 . . . . 0.0 109.292 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.26 -42.65 98.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.199 -0.938 . . . . 0.0 109.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -67.05 -41.37 86.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 0.0 109.4 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.81 -36.48 82.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.678 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.26 -40.28 90.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.943 . . . . 0.0 109.444 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -67.26 -37.76 84.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.641 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.093 -1.004 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.21 -38.68 84.09 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.333 -0.854 . . . . 0.0 108.785 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.44 -38.37 83.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -67.1 -54.59 19.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.151 -0.968 . . . . 0.0 109.554 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -52.7 -33.34 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.734 -1.229 . . . . 0.0 108.799 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.96 -43.5 87.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.02 -42.48 99.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 109.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -46.15 79.56 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -51.98 -49.02 64.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.143 -0.973 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -65.74 -39.92 91.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 109.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.58 -48.28 81.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 109.875 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.66 -35.01 79.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 0.0 109.524 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' GLN . 59.2 t-80 -60.9 -47.9 84.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 108.973 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -67.55 -44.95 77.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.281 -0.887 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.62 -44.21 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' HIS . 2.7 pt20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 109.679 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -63.35 -45.57 90.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.417 -0.802 . . . . 0.0 109.903 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.26 -43.9 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 109.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.1 -41.15 91.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.826 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 mmt -57.21 -51.6 68.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.069 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -41.39 61.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 108.76 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.79 -42.2 91.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.58 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -65.21 -42.59 93.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.347 -0.846 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.98 -40.41 95.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.4 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -62.1 -42.43 99.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -0.861 . . . . 0.0 109.406 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -64.18 -70.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.893 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ILE . 61.1 tttm -40.0 -44.87 1.81 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.622 -0.674 . . . . 0.0 110.128 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 41.9 tt0 -62.41 -45.73 91.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.121 -0.987 . . . . 0.0 108.871 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.59 -33.56 68.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.449 -0.782 . . . . 0.0 108.938 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.83 -41.68 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -64.27 -43.01 96.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.137 -0.977 . . . . 0.0 110.181 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 21' ' ' GLU . 85.8 mtt180 -66.9 -39.86 87.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.036 . . . . 0.0 109.225 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.51 -38.73 87.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.468 -0.77 . . . . 0.0 109.603 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.8 p -64.64 -37.66 88.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.91 -40.95 91.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.278 -0.889 . . . . 0.0 109.638 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -63.6 -40.54 97.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.16 -40.33 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.959 . . . . 0.0 109.651 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.6 -39.32 93.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 109.384 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -67.32 -49.49 63.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.28 -0.887 . . . . 0.0 109.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 33' ' ' ILE . 94.3 mt -53.54 -35.97 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.914 -1.116 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.96 -44.17 85.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.436 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.97 -35.92 81.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.0 109.949 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.65 -42.16 91.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.82 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -63.69 -42.1 98.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.162 -0.961 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -62.86 -41.92 99.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.035 -1.04 . . . . 0.0 108.876 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -62.16 -42.5 99.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.417 -0.802 . . . . 0.0 109.185 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.97 -37.72 83.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.477 -0.764 . . . . 0.0 109.259 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -60.46 -46.3 90.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.049 -1.032 . . . . 0.0 108.926 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.25 -42.72 93.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.383 -0.823 . . . . 0.0 109.516 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 55.9 m -53.03 -53.08 55.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 110.421 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.188 -179.123 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -58.93 -46.21 88.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 0.0 109.802 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.916 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 63.8 mmm -61.11 -52.86 63.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.83 -39.23 58.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 109.358 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.32 -42.47 96.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.977 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -65.09 -42.41 94.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 109.817 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.11 -35.8 81.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 0.0 109.509 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.59 -44.01 95.3 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.242 -0.911 . . . . 0.0 109.149 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.422 HG22 HD12 ' B' ' 19' ' ' ILE . 95.9 mt -62.76 -68.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 0.0 109.685 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.2 ttpp -39.84 -41.39 1.13 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.702 -0.624 . . . . 0.0 110.019 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.41 -47.02 87.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.938 . . . . 0.0 109.048 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.93 -32.48 69.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.154 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -63.31 -46.09 88.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 109.374 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.12 -41.56 81.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.192 -0.943 . . . . 0.0 109.718 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -65.78 -38.12 88.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 0.0 109.724 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.95 -39.89 83.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.451 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.3 -40.28 93.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.77 -37.51 84.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.405 -0.809 . . . . 0.0 109.391 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.87 -52.52 62.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.309 -0.869 . . . . 0.0 109.333 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.28 -38.16 70.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.224 -0.923 . . . . 0.0 109.143 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.38 -36.9 79.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.423 -0.798 . . . . 0.0 109.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.38 -56.04 9.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.4 -31.06 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.51 -1.369 . . . . 0.0 108.092 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -67.87 -47.35 69.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.408 -0.808 . . . . 0.0 109.095 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.71 -42.8 97.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.801 . . . . 0.0 109.802 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.73 -38.38 83.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.898 . . . . 0.0 109.433 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.69 -43.28 94.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.499 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -65.03 -42.44 94.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -61.74 -39.38 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.955 . . . . 0.0 109.255 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -37.01 76.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 108.907 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -61.58 -47.59 84.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.938 . . . . 0.0 109.705 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -62.65 -43.54 98.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.247 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.58 -50.09 43.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 0.0 109.444 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.301 0.572 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -62.73 -42.98 99.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.12 -0.988 . . . . 0.0 110.07 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -66.13 -46.47 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.494 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -41.79 98.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.144 -0.973 . . . . 0.0 109.146 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.65 -55.82 26.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.991 -1.068 . . . . 0.0 109.26 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.74 -39.95 19.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 0.0 108.702 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -65.88 -39.33 90.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.65 -39.11 92.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -65.79 -36.05 82.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.28 -0.887 . . . . 0.0 109.091 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.9 -45.51 94.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.506 -0.746 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.6 mm -66.61 -64.89 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.945 . . . . 0.0 109.875 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ILE . 3.2 ttmp? -37.3 -43.5 0.54 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.761 -0.587 . . . . 0.0 110.137 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.1 -44.99 87.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.214 -0.929 . . . . 0.0 108.792 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -61.12 -37.38 82.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.87 -42.55 98.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.06 -1.025 . . . . 0.0 109.164 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -69.0 -40.02 78.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.278 -0.889 . . . . 0.0 109.518 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -65.71 -38.33 88.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.296 -0.877 . . . . 0.0 109.261 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.34 -41.45 93.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.906 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -61.8 -40.13 94.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.19 -41.67 99.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.911 . . . . 0.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.81 -48.35 80.98 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -53.23 -44.53 68.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 0.0 109.403 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.52 -35.75 76.74 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.225 -0.922 . . . . 0.0 109.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.97 -52.5 35.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.0 109.971 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 mm -53.14 -35.89 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.69 -1.256 . . . . 0.0 109.195 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -65.04 -46.7 80.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -67.38 -37.52 83.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.504 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -66.51 -44.29 82.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.306 -0.871 . . . . 0.0 109.17 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -59.54 -41.66 90.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.53 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -63.95 -38.86 92.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.0 109.778 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 33.7 ttpt -62.03 -46.75 87.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.196 -0.94 . . . . 0.0 109.858 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.67 -33.5 75.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.074 -1.016 . . . . 0.0 109.637 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.94 -51.49 67.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 109.229 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.15 -43.54 94.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.235 -0.915 . . . . 0.0 109.31 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 70.9 m -48.58 -47.05 39.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.461 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.126 0.489 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.63 -54.19 49.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.225 -0.922 . . . . 0.0 110.203 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.84 -37.27 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.023 -1.048 . . . . 0.0 109.377 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.94 -42.11 84.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 0.0 109.106 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 41.5 mtt -69.59 -51.93 30.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 109.106 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.08 -43.8 41.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.209 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.99 -44.85 95.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.19 -0.944 . . . . 0.0 108.563 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.79 -41.23 86.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.13 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -64.08 -41.2 97.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.389 -0.819 . . . . 0.0 110.263 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.25 -48.74 80.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.165 -0.959 . . . . 0.0 109.914 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' B' ' 20' ' ' LYS . 1.4 mp -63.29 -65.47 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.995 . . . . 0.0 109.439 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.9 tttt -36.6 -45.99 0.55 Allowed 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.194 0.521 . . . . 0.0 110.602 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -60.46 -47.98 83.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 108.706 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 19' ' ' ILE . 34.7 tp -58.5 -34.94 71.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.457 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -61.87 -45.59 93.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 109.946 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -68.46 -39.17 81.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.932 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -66.41 -36.97 84.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.181 -0.95 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.09 -40.02 86.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.584 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -63.53 -41.55 98.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.12 -38.75 86.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.536 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.7 -46.62 81.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.227 -0.921 . . . . 0.0 108.99 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -55.79 -40.8 73.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.005 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.26 -34.11 76.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.0 108.952 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.67 -52.62 24.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.416 HG23 HD13 ' B' ' 33' ' ' ILE . 23.3 mm -56.08 -33.44 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -67.14 -42.56 84.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.41 -37.14 84.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.42 -42.98 82.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 108.781 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -43.22 95.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.195 -0.94 . . . . 0.0 109.351 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.98 -41.67 95.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.339 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.3 -41.05 98.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.275 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.64 -37.49 84.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.373 -0.83 . . . . 0.0 109.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.75 -47.52 85.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.228 -0.92 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -69.21 -42.09 76.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.339 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 t -47.68 -43.75 26.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.743 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 0.0 109.408 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.33 -46.4 88.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.907 . . . . 0.0 109.82 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.26 -41.36 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.807 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.49 -44.16 97.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 108.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mmm -59.02 -52.44 65.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.85 -40.27 55.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -64.33 -39.98 94.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.163 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.04 -41.14 91.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.426 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.13 -40.08 96.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.294 -0.879 . . . . 0.0 109.468 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -62.38 -42.63 99.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.41 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.9 mt -64.92 -69.77 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.66 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.6 ttpp -40.63 -44.62 2.17 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 109.918 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.83 -46.13 89.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 108.816 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.07 -37.06 78.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.071 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -63.74 -40.42 96.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.741 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.23 -41.44 94.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -66.43 -34.14 77.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.919 . . . . 0.0 109.037 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -39.81 86.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 108.899 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.1 t -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.17 -0.956 . . . . 0.0 109.328 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.24 -38.36 90.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.11 -44.85 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -56.76 -42.63 79.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.85 -38.82 89.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.71 -50.38 62.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.06 -37.75 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.74 -42.57 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 0.0 109.307 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -62.23 -42.6 99.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.55 -46.94 71.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.286 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -57.29 -43.34 83.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -0.938 . . . . 0.0 109.497 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.76 -38.03 88.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -60.0 -45.04 94.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 109.764 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -35.09 77.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.118 -0.989 . . . . 0.0 109.636 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.0 -50.46 74.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -68.08 -46.27 71.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.53 -49.02 27.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.478 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 109.487 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -60.98 -44.03 97.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.045 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.78 -41.98 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 109.712 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.33 -38.55 87.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.124 -0.985 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 13.4 mmt -64.77 -55.22 21.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -41.95 46.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.299 -0.876 . . . . 0.0 108.932 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -63.37 -41.41 98.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.191 -0.943 . . . . 0.0 109.338 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -65.91 -39.22 90.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -0.946 . . . . 0.0 109.405 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.87 -37.6 88.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.091 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -63.21 -43.29 98.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.299 -0.876 . . . . 0.0 109.152 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 85.2 mt -65.75 -71.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.0 tptp -41.02 -42.7 1.98 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.578 -0.701 . . . . 0.0 109.624 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.07 -46.18 88.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.953 . . . . 0.0 108.566 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 6.3 tt -58.11 -37.77 75.21 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.01 -44.45 92.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.918 . . . . 0.0 109.32 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -67.15 -37.23 83.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 108.905 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.65 -42.45 95.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.7 p -65.81 -37.81 87.27 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.901 . . . . 0.0 108.976 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.65 -44.15 91.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.412 -0.805 . . . . 0.0 109.053 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -60.89 -38.63 86.34 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.3 -38.64 87.54 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.457 -0.777 . . . . 0.0 109.297 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.5 -38.83 92.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -68.42 -56.94 6.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.22 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -51.29 -36.33 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.866 -1.146 . . . . 0.0 109.057 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.63 -42.55 86.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.363 -0.836 . . . . 0.0 109.489 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.67 -41.07 98.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.486 -0.759 . . . . 0.0 109.918 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.33 -38.84 88.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.141 -0.974 . . . . 0.0 108.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -56.99 -46.46 82.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.214 -0.929 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -66.67 -41.82 87.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -60.09 -39.43 86.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 108.766 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.5 ' O ' ' SG ' ' B' ' 43' ' ' CYS . 15.5 tp -69.18 -36.81 77.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.267 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.14 -47.23 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.132 -0.98 . . . . 0.0 109.874 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.61 -46.48 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 109.699 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 40' ' ' LEU . 2.0 p -48.35 -41.94 30.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.982 -1.074 . . . . 0.0 109.497 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 4.3 tp-100 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.263 -0.898 . . . . 0.0 109.145 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.272 0.558 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.93 -45.87 91.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.861 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -67.63 -40.23 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 109.787 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.51 -53.96 49.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 0.0 109.48 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -42.31 32.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.157 -0.964 . . . . 0.0 109.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.12 -41.36 97.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -64.04 -39.47 94.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.661 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.47 -38.16 90.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.188 -0.945 . . . . 0.0 109.556 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -63.46 -46.39 86.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 34.1 mm -67.65 -64.63 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.103 -0.998 . . . . 0.0 109.513 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ILE . 19.8 tptm -39.64 -45.92 1.74 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.648 -0.657 . . . . 0.0 109.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.71 -46.15 86.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 0.0 109.106 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.33 -36.86 78.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.862 . . . . 0.0 109.269 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.23 -40.05 94.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.99 -42.4 94.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 0.0 109.259 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -66.45 -36.03 81.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.06 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 -42.39 98.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.362 -0.836 . . . . 0.0 109.013 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.3 m -64.62 -38.82 92.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.925 . . . . 0.0 109.201 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -64.31 -42.69 96.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.03 -41.09 91.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 108.943 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.23 -43.09 99.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.437 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.04 -38.16 90.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.118 -0.989 . . . . 0.0 109.956 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.31 -49.53 69.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.047 -1.033 . . . . 0.0 108.963 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 33' ' ' ILE . 91.8 mt -52.98 -34.69 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.915 -1.116 . . . . 0.0 108.315 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -65.25 -43.93 89.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.264 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -64.73 -42.93 94.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.366 -0.834 . . . . 0.0 109.669 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.91 -42.21 98.82 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.56 -43.31 99.1 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.512 -0.742 . . . . 0.0 109.023 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -32.9 72.65 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.566 -0.708 . . . . 0.0 109.473 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.26 -55.53 10.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.63 -35.33 79.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.942 -1.099 . . . . 0.0 109.485 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -61.2 -49.61 76.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.943 -1.098 . . . . 0.0 108.766 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -63.37 -49.24 74.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 109.378 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.86 -43.07 28.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 109.939 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.083 -1.011 . . . . 0.0 109.926 -179.635 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -0.918 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 2.0 mp -65.43 -41.13 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 0.0 109.483 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.79 -38.76 89.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mtp -63.23 -55.22 26.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.95 . . . . 0.0 109.648 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.96 -38.36 50.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -63.34 -43.2 98.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.303 -0.873 . . . . 0.0 109.52 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.21 -40.23 90.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.23 -0.919 . . . . 0.0 109.774 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.19 -38.2 90.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 109.468 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.93 -43.37 96.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.48 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.8 mt -64.08 -69.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.774 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.8 ttpt -39.32 -43.13 1.12 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.73 -0.606 . . . . 0.0 110.199 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.63 -47.34 86.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -0.953 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.59 -34.62 71.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.129 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -63.55 -42.78 98.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.613 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -66.16 -42.67 88.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.872 . . . . 0.0 109.715 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.99 -37.68 86.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 109.294 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.69 -38.31 86.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.421 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.7 m -65.02 -42.21 94.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.549 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.81 -40.55 97.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.336 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -63.06 -42.07 99.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.299 -0.876 . . . . 0.0 108.863 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.88 -40.32 79.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.24 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -64.11 -35.2 79.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 0.0 109.028 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -67.2 -58.86 4.06 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.616 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' B' ' 33' ' ' ILE . 1.4 mp -53.58 -31.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.688 -1.258 . . . . 0.0 108.651 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.0 -46.27 78.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.17 -37.66 88.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.128 -0.982 . . . . 0.0 109.082 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.38 -44.83 82.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -63.99 -42.43 97.21 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.411 -0.805 . . . . 0.0 109.697 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -62.66 -42.72 99.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 109.908 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.95 -42.06 97.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.501 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.34 -35.25 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.59 -45.6 93.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 0.0 109.334 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.95 -46.04 75.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.61 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.4 m -48.13 -46.96 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 0.0 109.552 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 109.4 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.221 0.534 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -64.46 -45.84 85.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.36 -43.32 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.241 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.89 -41.59 98.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.175 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.54 -54.7 24.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.38 -37.09 35.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 108.731 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -63.4 -42.96 98.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.339 -0.851 . . . . 0.0 108.714 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -63.21 -38.19 90.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -63.21 -38.59 91.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.221 -0.925 . . . . 0.0 109.374 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.79 -48.86 77.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 109.827 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 26.8 mm -66.37 -65.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.16 -0.963 . . . . 0.0 109.877 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 77.7 tttt -39.41 -40.24 0.78 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.601 -0.687 . . . . 0.0 110.066 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' OE2' ' NE ' ' A' ' 25' ' ' ARG . 14.5 tm-20 -63.79 -48.87 75.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.09 -36.03 78.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 0.0 109.46 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -62.35 -41.96 99.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -65.64 -41.77 92.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' ' OE2' ' A' ' 21' ' ' GLU . 93.2 mtt180 -65.5 -33.71 76.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.871 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -45.64 93.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 108.807 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -61.04 -41.96 97.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.03 -39.32 93.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.363 -0.835 . . . . 0.0 109.725 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -64.22 -43.54 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 109.09 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.61 -42.17 82.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.412 -0.805 . . . . 0.0 109.089 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -62.94 -36.7 84.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.253 -0.905 . . . . 0.0 108.835 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.99 -51.83 42.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 109.475 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -54.01 -36.41 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.863 -1.148 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -68.86 -42.49 77.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.167 -0.958 . . . . 0.0 109.716 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.16 -39.09 93.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.16 -0.963 . . . . 0.0 109.21 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -40.12 89.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.81 -46.3 90.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -63.59 -42.14 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.11 -0.994 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 77.5 tttt -59.61 -39.09 83.08 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.216 -0.927 . . . . 0.0 108.619 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.71 -36.2 81.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.01 -50.38 72.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.439 -0.788 . . . . 0.0 109.32 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -65.86 -42.59 90.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.262 -0.899 . . . . 0.0 109.267 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 91.3 m -47.12 -52.28 15.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.266 -0.896 . . . . 0.0 109.365 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.049 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.15 -45.68 92.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 109.841 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.91 -42.68 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 109.776 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.13 -43.12 95.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 109.244 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -53.66 52.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.111 -0.993 . . . . 0.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.202 -0.936 . . . . 0.0 109.232 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.84 -47.32 86.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.247 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.55 -36.75 83.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.213 -0.929 . . . . 0.0 109.139 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -59.85 -42.48 93.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.092 -1.005 . . . . 0.0 109.196 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -61.76 -48.9 78.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.8 mm -67.23 -65.25 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -0.944 . . . . 0.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.49 ' HE3' ' HZ2' ' B' ' 24' ' ' LYS . 37.4 tttp -37.13 -45.89 0.65 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -62.77 -48.53 78.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.169 -0.957 . . . . 0.0 108.831 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 19' ' ' ILE . 58.7 tp -60.58 -33.5 72.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 0.0 109.275 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.397 -0.814 . . . . 0.0 109.515 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.49 ' HZ2' ' HE3' ' B' ' 20' ' ' LYS . 54.7 mttp -65.24 -40.66 94.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.312 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt-85 -68.04 -34.29 76.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.325 -0.859 . . . . 0.0 109.006 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -47.62 85.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.423 -0.798 . . . . 0.0 109.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' B' ' 28' ' ' GLU . 57.9 p -63.67 -39.46 94.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.006 . . . . 0.0 109.411 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.614 ' N ' ' HG ' ' B' ' 27' ' ' SER . 77.1 tt0 -63.85 -40.69 97.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.928 . . . . 0.0 109.626 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -63.9 -44.85 91.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.0 109.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -55.18 -39.98 70.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 0.0 108.722 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.77 -38.63 91.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.504 -0.748 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.18 -54.21 16.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.272 -0.893 . . . . 0.0 109.762 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.76 -35.04 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.863 -1.148 . . . . 0.0 109.455 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.5 -41.52 88.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.54 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -65.99 -35.53 80.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -43.7 87.37 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -56.93 -47.08 81.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.624 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -63.03 -40.67 98.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.163 -0.961 . . . . 0.0 109.713 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.95 -42.09 93.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.183 -0.948 . . . . 0.0 109.586 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -37.16 85.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.354 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.87 -47.36 86.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.987 -1.071 . . . . 0.0 109.304 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.87 -45.95 73.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 109.458 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' B' ' 44' ' ' GLN . 92.2 m -48.32 -44.54 34.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' CYS . 51.6 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.769 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.05 -43.3 95.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.08 -46.21 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.362 -0.836 . . . . 0.0 109.959 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -44.3 96.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 109.033 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 mtt -58.4 -52.74 64.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 109.123 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.94 -41.54 59.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.22 -40.51 96.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.882 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -66.14 -37.17 85.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.875 . . . . 0.0 109.184 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.8 -44.57 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.548 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.28 -43.02 99.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.243 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' LEU . 95.7 mt -65.16 -68.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.291 -0.881 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.9 tttm -40.85 -42.29 1.78 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.642 -0.661 . . . . 0.0 109.572 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 50.1 tp10 -63.45 -45.21 91.88 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 19' ' ' ILE . 2.2 tt -59.56 -37.86 79.57 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.44 -40.95 98.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 7.7 ttpm? -64.59 -45.6 86.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.735 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -65.81 -37.58 86.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 0.0 109.102 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.161 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 m -62.7 -40.65 97.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 0.0 109.662 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -66.58 -38.73 87.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.0 109.515 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.532 ' HZ3' HD13 ' A' ' 33' ' ' ILE . 17.3 tptp -61.39 -50.4 73.0 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.283 -0.886 . . . . 0.0 108.798 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -52.38 -45.82 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.103 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.03 -34.78 66.19 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.68 -53.81 12.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.513 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.532 HD13 ' HZ3' ' A' ' 29' ' ' LYS . 12.2 mm -55.19 -36.3 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.751 -1.218 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.38 -43.3 86.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.886 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -67.39 -37.16 82.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.905 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -44.56 90.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.893 . . . . 0.0 108.738 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.33 -41.08 92.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.0 109.429 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -61.74 -40.3 94.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.371 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.47 -46.48 88.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.54 -34.86 78.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.85 -49.42 74.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.139 -0.975 . . . . 0.0 109.204 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.67 -45.69 74.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.366 -0.834 . . . . 0.0 109.459 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -47.44 -46.24 26.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.382 -0.824 . . . . 0.0 109.698 -179.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -59.49 -46.39 88.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.53 -40.57 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.561 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.9 93.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.303 -0.873 . . . . 0.0 109.128 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 66.0 mmm -66.77 -58.0 5.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.979 . . . . 0.0 109.641 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 tp -48.14 -41.56 27.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.385 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.62 -42.27 98.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.339 -0.851 . . . . 0.0 109.119 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.74 -38.0 86.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.845 . . . . 0.0 109.421 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -63.33 -36.34 83.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.81 -46.11 83.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 109.328 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 22' ' ' LEU . 2.1 mp -66.94 -69.29 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.078 -1.014 . . . . 0.0 109.319 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.6 ttpp -38.31 -42.51 0.72 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.665 -0.647 . . . . 0.0 110.363 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.89 -46.28 85.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.0 108.823 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' ILE . 57.6 tp -61.31 -36.4 80.02 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 108.971 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.15 -38.36 86.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 108.97 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.11 -39.96 90.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 0.0 109.287 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -70.47 -38.82 74.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.27 -47.09 86.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 108.839 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.1 p -63.29 -37.98 89.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.087 -1.008 . . . . 0.0 109.016 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -64.84 -40.39 95.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.4 -0.812 . . . . 0.0 109.109 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -63.83 -44.5 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -38.82 84.38 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.254 -0.904 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.36 -39.64 91.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.347 -0.845 . . . . 0.0 109.314 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -70.63 -49.73 44.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.128 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.6 mt -51.35 -38.23 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.829 -1.169 . . . . 0.0 108.966 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -68.54 -43.33 76.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.469 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -64.72 -38.31 90.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.275 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -44.36 82.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -60.3 -42.17 94.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.659 HH12 ' NZ ' ' B' ' 42' ' ' LYS . 70.6 ttt-85 -60.79 -41.47 95.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -62.93 -42.14 99.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.777 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.02 -37.34 83.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 0.0 109.778 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.82 -54.0 41.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.204 -0.935 . . . . 0.0 109.694 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.659 ' NZ ' HH12 ' B' ' 38' ' ' ARG . 49.6 mtmt -60.24 -45.4 93.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 t -48.78 -43.19 37.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.225 -0.922 . . . . 0.0 109.287 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.444 -0.785 . . . . 0.0 109.412 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.169 0.509 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.03 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.461 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.5 mt -68.41 -39.77 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.144 -0.972 . . . . 0.0 109.836 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 0.0 109.011 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmt -60.17 -54.69 42.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.126 -0.984 . . . . 0.0 109.206 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.52 -34.96 27.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -62.65 -44.37 96.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.851 . . . . 0.0 108.839 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -65.36 -39.29 92.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.871 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.22 -43.31 92.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.251 -0.906 . . . . 0.0 109.406 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.9 -44.0 91.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 108.937 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -62.16 -70.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 76.1 tttt -40.04 -46.27 2.09 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.754 -0.591 . . . . 0.0 109.965 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.7 -46.4 85.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.986 -1.071 . . . . 0.0 109.317 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.2 -37.04 69.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.245 -0.909 . . . . 0.0 108.586 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.31 -40.35 97.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.482 -0.761 . . . . 0.0 109.206 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.68 -45.81 77.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 109.954 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -63.06 -36.5 83.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.089 -1.007 . . . . 0.0 109.42 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.31 -38.62 88.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.034 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' A' ' 28' ' ' GLU . 84.7 p -64.1 -39.73 94.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.58 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.614 ' N ' ' HG ' ' A' ' 27' ' ' SER . 96.3 mt-10 -66.62 -40.43 88.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 109.75 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -66.3 -45.66 79.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.626 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.65 -38.91 82.71 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.145 -0.972 . . . . 0.0 109.17 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.08 -38.58 91.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.883 . . . . 0.0 109.277 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.25 -48.86 69.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.208 -0.933 . . . . 0.0 109.385 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.3 mt -55.49 -34.38 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.858 -1.151 . . . . 0.0 109.012 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -65.04 -44.72 88.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -45.2 81.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.382 -0.824 . . . . 0.0 108.999 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -59.87 -41.63 91.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.744 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.66 -39.41 93.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 109.634 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.81 -46.74 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.729 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.2 -33.17 75.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.938 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.13 -49.84 74.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.441 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.71 -44.05 94.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.332 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.36 -48.98 36.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.359 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 109.335 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.29 -49.41 76.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.37 -0.831 . . . . 0.0 110.095 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.51 -47.27 86.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.174 -0.954 . . . . 0.0 109.721 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.9 mtt -63.83 -55.39 23.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.06 -1.025 . . . . 0.0 109.556 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.68 -37.11 49.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.215 -0.928 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.69 -46.3 90.31 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -61.46 -35.21 76.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 108.91 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -59.35 -43.91 92.73 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.449 -0.782 . . . . 0.0 109.089 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.14 -43.42 98.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.652 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' B' ' 22' ' ' LEU . 25.8 mm -62.32 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.041 . . . . 0.0 109.715 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.8 mtpp -37.66 -40.51 0.42 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.749 -0.594 . . . . 0.0 110.579 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -63.23 -47.08 83.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.901 -1.124 . . . . 0.0 108.779 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 19' ' ' ILE . 61.9 tp -61.05 -34.21 74.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -61.56 -42.45 98.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.396 -0.815 . . . . 0.0 109.399 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -69.84 -40.67 75.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.278 -0.889 . . . . 0.0 109.695 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -67.73 -35.1 78.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.195 -0.941 . . . . 0.0 109.242 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -43.77 89.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 108.76 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.7 t -60.14 -41.14 92.09 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.92 -37.7 79.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.367 -0.833 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -65.97 -47.17 75.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.25 -0.907 . . . . 0.0 108.968 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -57.84 -43.21 85.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 108.979 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.23 -33.73 71.35 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 108.798 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.26 -53.7 27.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.402 -0.811 . . . . 0.0 109.673 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.7 mp -52.39 -35.85 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.75 -1.219 . . . . 0.0 108.561 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.76 -43.74 92.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.433 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.06 -39.16 92.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.932 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -45.19 76.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 108.659 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -56.86 -47.68 79.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 108.911 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -61.72 -41.88 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.55 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -63.14 -41.85 99.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.568 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.58 -36.93 85.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.56 -50.77 70.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.253 -0.904 . . . . 0.0 109.436 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.69 -41.42 88.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' B' ' 44' ' ' GLN . 17.3 t -51.01 -42.16 60.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 109.899 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' B' ' 43' ' ' CYS . 21.9 pt20 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.695 -0.628 . . . . 0.0 110.456 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -57.1 -50.78 71.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.134 -0.979 . . . . 0.0 109.678 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -37.41 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.9 -36.47 79.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.242 -0.911 . . . . 0.0 109.338 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 mtt -72.93 -50.29 24.4 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.848 -1.157 . . . . 0.0 109.689 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.5 -49.93 66.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.141 -0.974 . . . . 0.0 110.23 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -62.4 -38.31 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.725 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' ' HZ3' ' A' ' 20' ' ' LYS . 45.8 tt0 -60.81 -36.07 78.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.208 -0.932 . . . . 0.0 108.941 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.49 -37.51 87.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.346 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -62.83 -44.38 96.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 109.635 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 18.9 mm -66.83 -68.36 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.092 -1.005 . . . . 0.0 109.719 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HZ3' ' CG ' ' A' ' 16' ' ' GLU . 44.6 mttp -40.97 -44.62 2.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.637 -0.664 . . . . 0.0 109.776 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.35 -44.95 96.31 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -60.64 -36.7 79.31 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.82 -42.74 98.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 109.349 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.0 -41.4 95.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -68.52 -35.18 77.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.965 . . . . 0.0 109.28 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.56 -42.78 86.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.347 -0.846 . . . . 0.0 109.246 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 m -63.2 -38.68 92.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.952 . . . . 0.0 108.955 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -62.51 -40.42 96.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.398 -0.814 . . . . 0.0 109.125 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.51 -41.6 98.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.831 . . . . 0.0 109.359 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.07 -44.35 87.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.153 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.65 -38.59 89.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.875 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.7 -49.14 69.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.315 -0.866 . . . . 0.0 109.013 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -56.08 -34.58 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.858 -1.151 . . . . 0.0 108.944 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.96 -44.75 88.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.62 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -66.47 -37.2 84.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.184 -0.947 . . . . 0.0 109.27 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -46.79 72.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -61.38 -42.33 98.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.196 -0.94 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HE ' ' HZ3' ' A' ' 42' ' ' LYS . 74.4 ttt180 -61.69 -42.87 99.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.1 -40.82 97.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 0.0 109.402 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.15 -37.57 87.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -60.57 -49.98 75.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HZ3' ' HE ' ' A' ' 38' ' ' ARG . 61.2 mttp -63.29 -45.69 90.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 0.0 109.121 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.8 m -48.64 -50.15 34.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.562 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.636 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -58.69 -48.12 82.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.724 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -39.65 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.629 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.26 -44.27 97.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.951 . . . . 0.0 108.96 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 72.5 mtp -63.27 -52.59 61.43 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.84 -37.88 45.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.425 -0.797 . . . . 0.0 108.85 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -64.97 -42.5 94.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 0.0 109.071 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.21 -40.62 90.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.364 -0.835 . . . . 0.0 109.306 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.91 -41.63 92.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.823 . . . . 0.0 109.192 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.93 -42.15 97.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.372 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 22' ' ' LEU . 96.6 mt -64.6 -70.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.697 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 17.8 tptp -39.05 -39.77 0.6 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.781 -0.575 . . . . 0.0 109.891 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.93 -44.8 84.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 108.986 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 19' ' ' ILE . 47.0 tp -62.5 -38.59 90.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.415 -0.803 . . . . 0.0 109.404 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -39.47 94.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.201 -0.937 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.99 -42.56 84.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.407 -0.808 . . . . 0.0 109.723 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -67.39 -36.26 80.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.154 -0.966 . . . . 0.0 109.25 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.92 -39.4 94.09 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.328 -0.858 . . . . 0.0 109.087 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.44 ' HG ' ' N ' ' B' ' 28' ' ' GLU . 15.2 p -64.11 -41.03 97.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.277 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' B' ' 27' ' ' SER . 39.0 tp10 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.401 -0.812 . . . . 0.0 109.746 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.51 -40.54 97.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.987 -1.071 . . . . 0.0 108.781 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -55.85 -43.66 77.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.34 -0.85 . . . . 0.0 108.943 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.05 -34.67 78.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.889 . . . . 0.0 109.177 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.85 -53.19 28.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.365 -0.834 . . . . 0.0 109.524 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mm -54.33 -36.79 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.817 -1.177 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.33 -47.26 80.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 109.51 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -65.66 -37.89 87.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.55 -46.6 75.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 108.901 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -59.81 -41.7 91.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.207 -0.933 . . . . 0.0 108.785 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -62.48 -36.45 82.53 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.567 -0.708 . . . . 0.0 109.242 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -64.63 -50.38 67.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.531 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.85 -34.14 76.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.158 -0.964 . . . . 0.0 109.711 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -60.9 -53.53 56.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.965 -1.084 . . . . 0.0 109.554 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.02 -39.56 83.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.442 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.71 -45.23 39.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.0 109.403 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 0.0 108.825 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -63.3 -45.83 89.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 mm -69.7 -42.99 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.786 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.546 ' CD1' ' HZ1' ' B' ' 15' ' ' LYS . 49.6 tp -62.82 -41.33 99.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 108.969 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 mmt -67.81 -56.41 9.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 108.918 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.06 -36.32 18.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HZ1' ' CD1' ' B' ' 19' ' ' ILE . 54.8 tttm -65.65 -39.36 91.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.26 -37.84 88.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.39 -0.819 . . . . 0.0 109.012 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -63.01 -37.96 89.28 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.34 -0.85 . . . . 0.0 108.835 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -63.19 -42.29 99.32 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.362 -0.836 . . . . 0.0 109.023 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 85.9 mt -63.7 -73.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 109.762 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.7 ttpt -40.23 -42.39 1.49 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.595 -0.69 . . . . 0.0 110.001 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.52 -45.41 93.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.934 . . . . 0.0 108.806 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -62.22 -36.68 82.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.505 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.79 -40.06 87.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.946 . . . . 0.0 109.602 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -67.33 -39.59 85.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -45.26 94.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.239 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -62.68 -38.84 91.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.47 -40.46 95.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -62.37 -42.61 99.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.54 -41.94 91.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.31 -36.89 83.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 109.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.34 -53.26 20.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.0 109.702 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.69 -34.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.843 -1.161 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.03 -42.94 88.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.43 -37.55 85.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -42.89 87.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.09 -43.31 95.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 109.752 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -63.51 -40.74 97.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.513 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.05 -41.09 97.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -37.87 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.877 . . . . 0.0 109.341 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.2 -48.33 82.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 109.321 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -63.19 -44.12 96.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.1 m -48.69 -50.26 34.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.297 -0.877 . . . . 0.0 109.412 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.081 0.467 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.22 -50.89 63.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.477 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.26 -42.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.872 . . . . 0.0 109.723 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.59 -43.47 76.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 108.614 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mmt -62.51 -50.43 71.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.345 -0.847 . . . . 0.0 108.863 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.81 -40.6 60.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HZ1' ' CD1' ' A' ' 12' ' ' LEU . 34.8 ttpt -65.91 -43.87 86.89 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 109.972 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -65.54 -40.54 93.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.044 -1.035 . . . . 0.0 110.126 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.74 -38.49 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.983 -1.073 . . . . 0.0 109.497 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.2 -45.94 91.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.896 . . . . 0.0 109.177 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.583 ' CD1' ' HZ1' ' A' ' 15' ' ' LYS . 66.5 mt -67.08 -63.85 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.41 -0.806 . . . . 0.0 109.847 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tttp -39.17 -43.89 1.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.364 0.602 . . . . 0.0 109.883 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.61 -46.23 89.23 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' ILE . 59.3 tp -58.7 -36.86 74.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.462 -0.774 . . . . 0.0 109.192 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.36 -43.35 99.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.42 -41.86 88.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.26 -0.9 . . . . 0.0 109.757 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -68.1 -35.65 78.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.175 -0.953 . . . . 0.0 109.423 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -44.36 96.89 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.171 -0.956 . . . . 0.0 108.723 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -61.47 -41.57 97.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.069 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.16 -40.5 94.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -61.25 -48.3 82.07 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.294 -0.879 . . . . 0.0 109.071 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -57.94 -39.17 77.4 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.523 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.21 -38.78 80.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -67.51 -50.49 58.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 109.614 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.73 -38.07 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.554 -1.341 . . . . 0.0 109.067 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.13 -46.15 74.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.741 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.7 -39.7 94.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 0.0 109.582 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.6 -42.62 82.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.88 . . . . 0.0 109.056 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -61.67 -42.89 99.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.193 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -62.47 -40.23 95.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.311 -0.868 . . . . 0.0 108.94 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -65.7 -41.82 91.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.19 -36.62 83.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 0.0 109.177 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -62.52 -47.15 85.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.102 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.75 -45.68 92.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.896 . . . . 0.0 109.22 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 80.6 m -49.9 -49.97 47.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.27 -0.894 . . . . 0.0 109.201 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.432 -0.792 . . . . 0.0 109.385 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.29 0.567 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.88 -48.31 81.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.11 -40.3 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.949 . . . . 0.0 109.877 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.29 -46.78 88.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.122 -0.986 . . . . 0.0 108.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.23 -56.03 26.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.08 -1.013 . . . . 0.0 109.396 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -50.96 -37.67 45.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 108.999 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HZ2' ' CD1' ' B' ' 19' ' ' ILE . 20.6 tptp -62.31 -42.15 99.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.825 . . . . 0.0 108.98 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.08 -37.18 85.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -0.857 . . . . 0.0 109.086 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -63.58 -38.26 90.47 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.845 . . . . 0.0 109.035 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -63.85 -43.87 94.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.373 -0.83 . . . . 0.0 109.11 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LEU . 98.3 mt -62.88 -71.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.264 -0.898 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 49.5 tttp -40.26 -40.93 1.23 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.728 -0.607 . . . . 0.0 109.914 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.21 -46.72 87.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 0.0 108.729 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 40.9 tp -60.08 -35.14 74.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.415 -0.803 . . . . 0.0 109.129 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.59 -40.89 98.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.85 -45.07 83.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 109.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -68.13 -36.77 80.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -0.968 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.02 -40.92 95.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.31 -0.869 . . . . 0.0 109.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 m -64.49 -38.35 90.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.417 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.69 -42.17 95.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -62.32 -43.05 99.72 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.225 -0.922 . . . . 0.0 108.994 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.81 -40.34 83.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.318 -0.864 . . . . 0.0 109.138 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.073 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -70.5 -57.24 4.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.9 mm -54.81 -32.3 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.75 -1.219 . . . . 0.0 109.14 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -67.92 -41.86 81.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -0.849 . . . . 0.0 109.607 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -66.7 -38.27 86.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 109.69 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.07 -41.56 86.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.929 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -63.1 -41.96 99.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -63.57 -39.61 94.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.592 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.47 -32.5 74.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.579 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -63.45 -50.24 70.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.207 -0.933 . . . . 0.0 109.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.51 -44.83 95.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 0.0 109.214 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -49.74 -49.69 47.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.489 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.246 0.546 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -58.82 -45.65 89.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 0.0 109.739 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.415 HG23 HD11 ' B' ' 11' ' ' ILE . 18.4 mm -68.43 -40.24 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.263 -0.898 . . . . 0.0 109.643 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -44.0 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.189 -0.944 . . . . 0.0 108.83 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mmm -62.54 -53.1 59.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.116 -0.99 . . . . 0.0 109.271 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -50.49 -41.32 53.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.233 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.3 -40.75 96.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -65.29 -37.73 88.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.53 -40.25 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.242 -0.911 . . . . 0.0 109.598 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -63.34 -43.3 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.473 ' CD1' ' HZ2' ' A' ' 15' ' ' LYS . 96.7 mt -64.67 -69.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 0.0 109.773 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.9 ttmt -39.96 -43.55 1.55 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.665 -0.647 . . . . 0.0 110.013 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.09 -46.51 90.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -36.55 74.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.858 . . . . 0.0 108.831 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -62.29 -42.2 99.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.31 -43.84 89.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.262 -0.899 . . . . 0.0 109.834 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.12 -35.65 81.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 109.068 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 tp -65.31 -41.12 94.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.166 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -62.08 -41.09 97.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.208 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.0 -40.83 91.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.36 -0.837 . . . . 0.0 109.46 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.41 -44.43 96.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.258 -0.901 . . . . 0.0 108.924 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.68 -39.71 81.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.402 -0.811 . . . . 0.0 109.186 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 0.0 109.17 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.19 -53.58 23.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.679 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mm -56.17 -35.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.807 -1.183 . . . . 0.0 109.563 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -65.59 -44.42 86.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 0.0 109.689 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.51 -37.51 86.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.26 -0.9 . . . . 0.0 109.669 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.44 -42.58 87.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.202 -0.936 . . . . 0.0 109.094 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -59.09 -43.8 91.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.305 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.49 -35.98 82.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.249 -0.907 . . . . 0.0 108.732 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.32 -51.57 67.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.96 -32.04 73.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 109.177 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.67 -47.33 82.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 108.985 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.85 -44.01 82.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.193 -0.942 . . . . 0.0 109.429 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.3 m -50.2 -53.35 28.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 N--CA 1.496 1.834 0 O-C-N 121.355 -0.841 . . . . 0.0 109.526 -179.529 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.84 -46.29 84.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.11 -41.35 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.976 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -43.6 98.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.114 -0.991 . . . . 0.0 108.85 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -63.88 -54.09 40.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.105 -0.997 . . . . 0.0 108.92 179.575 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -50.2 -38.02 37.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.162 -0.961 . . . . 0.0 108.855 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.11 -41.34 97.29 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 108.983 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.56 -39.9 92.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.67 -37.8 88.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.306 -0.871 . . . . 0.0 109.261 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -61.34 -48.28 82.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 108.954 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 74.3 mt -63.97 -66.02 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.201 -0.937 . . . . 0.0 110.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.2 ttpp -39.07 -42.87 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.722 -0.611 . . . . 0.0 110.156 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.78 -46.92 83.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -0.982 . . . . 0.0 109.028 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.85 -35.86 79.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.374 -0.829 . . . . 0.0 109.167 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.64 -39.48 93.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -66.13 -42.9 88.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.842 . . . . 0.0 109.69 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -67.1 -34.68 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 109.44 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -43.21 97.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 108.779 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -62.31 -40.91 97.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -37.89 88.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 0.0 109.594 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.21 -44.39 95.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -58.68 -43.74 90.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.204 -0.935 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -58.87 -36.47 74.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.869 . . . . 0.0 109.052 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.47 -54.85 12.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.57 -34.65 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.88 -1.138 . . . . 0.0 108.906 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -66.28 -46.92 75.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.359 -0.838 . . . . 0.0 109.59 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.76 -38.45 86.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.4 -39.1 88.81 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.272 -0.892 . . . . 0.0 108.735 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.31 -44.65 92.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.479 -0.763 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -64.13 -36.25 83.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 22.9 ttpp -63.5 -46.28 86.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.01 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.99 -34.85 79.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.985 -1.072 . . . . 0.0 109.592 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.46 -49.31 78.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -65.28 -44.38 88.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.602 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 72.1 m -48.11 -47.67 34.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 0.0 109.561 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 109.756 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.45 -46.39 88.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.343 -0.848 . . . . 0.0 109.67 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.53 -40.17 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.82 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.16 -43.31 99.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 109.129 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.96 -54.13 46.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.141 -0.975 . . . . 0.0 109.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -39.59 32.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 109.004 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.07 -44.32 96.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 20' ' ' LYS . 84.5 tt0 -62.35 -38.53 89.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.77 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -65.14 -36.29 83.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -63.2 -46.51 86.72 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.353 -0.842 . . . . 0.0 109.77 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' B' ' 22' ' ' LEU . 29.9 mm -66.99 -67.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 109.934 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 16' ' ' GLU . 93.7 mttt -39.57 -40.47 0.88 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.616 -0.677 . . . . 0.0 110.031 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.41 -46.88 84.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 0.0 108.668 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' ILE . 53.7 tp -63.38 -35.03 79.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.358 -0.838 . . . . 0.0 109.119 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -61.3 -40.45 94.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 0.0 109.148 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.95 -40.3 87.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.341 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -67.09 -38.54 85.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -41.67 98.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 108.92 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -63.13 -41.51 99.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 109.461 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -63.04 -39.67 95.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.327 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -64.81 -41.69 95.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.326 -0.859 . . . . 0.0 109.114 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.11 -47.36 75.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 108.86 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -32.3 73.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.34 -0.85 . . . . 0.0 108.931 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -68.95 -53.04 23.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.726 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.78 -35.5 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.909 -1.12 . . . . 0.0 109.652 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.02 -43.17 79.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.048 . . . . 0.0 109.724 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.29 -40.24 93.41 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.185 -0.947 . . . . 0.0 109.171 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 tp -67.1 -43.56 82.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 109.222 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -63.52 -44.33 94.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.164 -0.96 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.84 -41.01 94.97 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -58.98 -42.95 91.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 108.99 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -38.97 93.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 0.0 108.98 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -58.86 -50.48 73.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -0.917 . . . . 0.0 108.722 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -64.36 -46.79 81.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.49 -0.756 . . . . 0.0 109.657 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' B' ' 44' ' ' GLN . 12.7 t -51.31 -52.2 47.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.086 -1.008 . . . . 0.0 108.95 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' B' ' 43' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.495 -0.753 . . . . 0.0 109.514 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -60.46 -44.89 95.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.4 -42.49 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 109.945 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.03 -47.34 86.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 108.562 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.65 -52.88 58.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.064 -1.023 . . . . 0.0 108.999 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.26 -36.21 40.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 108.906 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.72 -41.57 99.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 108.881 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.05 -40.43 97.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.322 -0.861 . . . . 0.0 109.378 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.38 -37.87 80.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.303 -0.873 . . . . 0.0 109.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -42.96 99.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.092 -1.005 . . . . 0.0 109.168 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 85.5 mt -65.64 -69.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.418 -0.802 . . . . 0.0 109.986 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 54.9 mtpt -40.89 -46.88 2.86 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.614 -0.679 . . . . 0.0 110.26 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.18 -44.8 95.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.999 -1.063 . . . . 0.0 109.031 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.13 -35.7 71.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -62.98 -40.86 99.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.0 109.315 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -65.05 -42.89 93.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 0.0 109.714 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -68.02 -38.23 82.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.36 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 108.951 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.3 p -64.08 -37.93 89.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 109.326 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -65.92 -40.7 91.7 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -63.98 -43.8 94.64 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.319 -0.863 . . . . 0.0 109.076 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -57.84 -42.75 85.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.169 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.23 -35.88 80.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.314 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -67.29 -52.21 43.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.271 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 HD13 HG21 ' A' ' 33' ' ' ILE . 96.9 mt -51.52 -36.28 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.865 -1.147 . . . . 0.0 109.109 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.16 -43.24 74.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 109.89 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.27 -42.79 96.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.753 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -42.03 92.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 108.509 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.58 -41.33 94.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.331 -0.856 . . . . 0.0 109.281 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -39.63 91.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.34 -50.44 73.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.264 -0.898 . . . . 0.0 109.473 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mm? -67.05 -33.46 75.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.324 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.81 -48.83 78.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -64.5 -43.91 92.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.466 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.1 m -48.78 -50.17 35.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.27 -0.894 . . . . 0.0 109.548 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.153 0.501 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -49.76 -58.36 5.5 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.927 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.38 -37.29 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.388 -0.82 . . . . 0.0 110.426 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.73 -43.84 94.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.106 -0.996 . . . . 0.0 110.051 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 82.6 mmm -68.32 -51.38 45.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.928 -1.107 . . . . 0.0 109.292 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.51 -45.24 36.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.194 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -62.73 -40.06 96.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 0.0 109.407 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.39 -37.73 87.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.342 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.14 -36.46 79.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.377 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -63.41 -43.08 98.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.124 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' B' ' 20' ' ' LYS . 84.3 mt -66.94 -68.02 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.305 -0.872 . . . . 0.0 109.325 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 19' ' ' ILE . 50.2 tttp -40.68 -45.03 2.29 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.706 -0.621 . . . . 0.0 109.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -59.36 -46.51 88.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 108.782 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -37.06 81.31 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.08 -40.48 85.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.163 -0.961 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -66.76 -45.25 79.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.726 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -65.71 -36.42 83.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.062 -1.024 . . . . 0.0 109.392 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.62 -42.03 99.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.245 -0.91 . . . . 0.0 109.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.3 p -65.54 -38.51 89.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.163 -0.96 . . . . 0.0 109.586 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 109.822 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.68 95.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.558 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -55.96 -49.05 74.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 109.182 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.64 -36.44 78.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.286 -0.884 . . . . 0.0 109.826 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.72 -49.84 60.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.618 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.77 -33.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.766 -1.209 . . . . 0.0 108.944 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.9 -42.92 84.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.852 . . . . 0.0 109.504 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -64.55 -38.23 90.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.885 . . . . 0.0 109.734 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.96 -42.37 90.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -63.01 -42.13 99.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.313 -0.867 . . . . 0.0 109.448 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.488 ' HE ' ' HZ1' ' B' ' 42' ' ' LYS . 79.3 ttt180 -61.01 -41.78 97.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 109.7 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.68 -44.82 96.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.0 109.579 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.434 ' O ' ' SG ' ' B' ' 43' ' ' CYS . 2.9 tt -61.23 -38.36 86.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.03 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -50.13 74.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 0.0 110.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.488 ' HZ1' ' HE ' ' B' ' 38' ' ' ARG . 30.0 mmtm -68.29 -47.26 68.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.123 -0.986 . . . . 0.0 110.239 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 7.3 p -47.79 -43.87 28.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.031 -1.043 . . . . 0.0 109.623 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.574 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 15.3 tm0? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -58.43 -45.97 87.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.392 -0.818 . . . . 0.0 109.569 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.15 -45.94 78.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.314 -0.866 . . . . 0.0 110.194 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.49 -40.97 75.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.948 -1.095 . . . . 0.0 108.775 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.3 mtp -59.05 -50.19 75.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 0.0 108.534 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -55.29 -40.54 71.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 109.76 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -63.45 -42.76 98.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.085 -1.009 . . . . 0.0 109.632 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -64.28 -39.31 93.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.24 -37.23 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 108.87 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -62.09 -49.41 76.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.767 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . 89.5 mt -63.36 -67.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.6 tttm -39.02 -41.44 0.78 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.251 0.548 . . . . 0.0 109.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 25' ' ' ARG . 69.2 tt0 -63.17 -49.58 73.74 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' ILE . 60.7 tp -58.99 -35.48 73.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.801 . . . . 0.0 108.912 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.93 -39.56 93.69 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.404 -0.81 . . . . 0.0 109.762 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -64.54 -45.46 87.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 109.553 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 21' ' ' GLU . 96.3 mtt180 -67.62 -35.07 78.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.478 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -40.91 85.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.872 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.3 t -61.69 -42.24 98.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.94 -38.4 90.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.0 109.403 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -65.25 -44.92 86.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.062 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.16 -45.13 71.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.306 -0.871 . . . . 0.0 109.232 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.42 -31.21 72.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.117 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -69.16 -58.12 4.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mm -55.99 -31.44 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.79 -1.194 . . . . 0.0 109.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.83 -42.57 94.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.31 -0.869 . . . . 0.0 109.249 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.49 -37.13 84.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.567 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -45.18 81.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.323 -0.86 . . . . 0.0 108.955 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.8 -43.26 90.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.939 . . . . 0.0 109.396 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -63.07 -38.46 91.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 109.47 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.59 -47.39 85.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 109.751 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.83 -34.01 77.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.155 -0.965 . . . . 0.0 109.77 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.51 -48.54 80.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.154 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.19 -44.57 91.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.322 -0.861 . . . . 0.0 109.533 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.0 t -49.41 -49.73 43.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.704 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.371 0.605 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.54 -42.62 99.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 0.0 109.763 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.55 -43.2 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.516 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -41.97 91.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 108.643 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -59.52 -50.8 72.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.075 -1.016 . . . . 0.0 109.23 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -50.15 -43.18 51.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.415 -0.803 . . . . 0.0 109.248 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -60.47 -46.14 91.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -63.48 -40.0 95.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.16 -0.962 . . . . 0.0 109.182 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -62.66 -40.63 97.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.829 . . . . 0.0 109.604 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.97 -42.89 99.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' B' ' 20' ' ' LYS . 76.6 mt -64.72 -68.16 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 0.0 109.966 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 19' ' ' ILE . 65.2 tttm -40.31 -46.22 2.28 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.748 -0.595 . . . . 0.0 110.143 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -60.09 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 0.0 108.856 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -36.62 79.02 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -59.22 -42.09 90.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -68.01 -40.9 82.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.131 -0.98 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -67.08 -37.98 84.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.59 -39.14 84.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -0.83 . . . . 0.0 109.175 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 99.1 p -64.01 -39.82 94.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.141 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.08 -38.14 87.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -64.38 -46.2 84.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.221 -0.925 . . . . 0.0 108.936 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -54.6 -41.69 70.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 0.0 108.971 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.37 -33.44 75.97 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.307 -0.87 . . . . 0.0 109.453 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -71.42 -53.67 13.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.185 -0.947 . . . . 0.0 109.672 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -55.11 -32.71 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.71 -1.244 . . . . 0.0 108.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -67.77 -41.95 82.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -65.1 -38.56 91.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.211 -0.931 . . . . 0.0 109.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -41.84 88.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.861 . . . . 0.0 108.724 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.04 -45.33 87.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -64.45 -40.93 96.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.0 109.415 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -61.46 -41.6 97.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -38.24 82.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.22 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.11 -47.62 82.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -64.43 -43.17 95.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -48.13 -50.9 27.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.308 -0.87 . . . . 0.0 109.569 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.352 -0.843 . . . . 0.0 109.168 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.314 0.578 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -62.31 -45.42 93.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.252 -0.905 . . . . 0.0 109.867 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.43 -41.89 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.102 -0.999 . . . . 0.0 109.298 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.0 -40.4 97.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.296 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 68.8 mtp -64.75 -55.47 19.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.92 -37.15 30.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 108.763 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.45 -38.8 90.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -66.3 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.487 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -63.92 -38.56 91.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.0 109.484 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.16 -42.26 93.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.303 -0.873 . . . . 0.0 109.593 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' LYS . 91.3 mt -63.58 -68.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' ILE . 9.8 mtmp? -41.51 -42.28 2.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 47.9 tp10 -61.68 -46.84 88.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.05 -37.07 73.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.096 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.42 -42.41 95.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 109.106 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 21' ' ' GLU . 8.1 ttpm? -64.96 -43.93 91.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.382 -0.823 . . . . 0.0 109.485 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.53 -40.18 96.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.416 -0.802 . . . . 0.0 109.531 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.43 -35.46 73.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.123 -0.985 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -61.34 -44.32 97.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.107 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.36 -34.59 72.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.003 -1.061 . . . . 0.0 109.55 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HZ1' ' CD1' ' B' ' 33' ' ' ILE . 18.0 tptm -62.16 -45.63 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.161 -0.962 . . . . 0.0 108.769 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.89 -41.05 97.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 109.32 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.16 -35.63 71.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 109.242 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.26 -49.8 58.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 109.477 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.72 -36.67 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.792 -1.193 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.49 -45.47 83.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.45 -38.0 86.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.444 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.07 -44.59 88.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 0.0 108.834 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -59.02 -43.22 91.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.943 . . . . 0.0 109.357 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' NE ' ' NZ ' ' A' ' 42' ' ' LYS . 45.5 ttt85 -62.73 -42.49 99.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 0.0 109.186 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.71 -44.62 95.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.0 -35.82 81.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.287 -0.883 . . . . 0.0 109.317 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -61.68 -48.17 82.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.889 . . . . 0.0 109.168 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' NZ ' ' NE ' ' A' ' 38' ' ' ARG . 62.5 mttp -63.56 -43.92 95.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.232 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.71 -51.13 30.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.317 -0.864 . . . . 0.0 109.313 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -55.14 37.8 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.817 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 67.2 mt -60.41 -46.09 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 110.387 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.67 -42.9 75.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.951 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 28.4 mtt -66.41 -51.5 56.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.995 -1.066 . . . . 0.0 109.449 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.21 -39.93 15.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.914 . . . . 0.0 108.833 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.817 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 65.0 mmtt -67.74 -41.25 83.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.228 -0.92 . . . . 0.0 108.755 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -43.37 98.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.387 -0.82 . . . . 0.0 110.228 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.24 -35.56 79.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.063 -1.023 . . . . 0.0 109.898 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.98 -43.4 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.074 -1.016 . . . . 0.0 109.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' B' ' 20' ' ' LYS . 38.2 mm -66.86 -64.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 110.016 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' B' ' 19' ' ' ILE . 79.0 tttt -39.65 -43.17 1.31 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.536 -0.727 . . . . 0.0 110.097 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.62 -48.21 81.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.094 -1.004 . . . . 0.0 108.922 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.13 -33.54 74.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.85 -42.55 99.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.19 -40.77 94.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.95 -35.75 78.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.165 -0.959 . . . . 0.0 108.905 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.34 86.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -0.813 . . . . 0.0 108.971 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.0 p -62.37 -39.78 94.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.143 -0.973 . . . . 0.0 109.421 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.48 -39.07 88.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 109.412 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -62.47 -45.25 93.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -0.841 . . . . 0.0 108.976 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -59.59 -38.47 81.3 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.418 -0.801 . . . . 0.0 109.047 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.12 -39.22 89.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.421 -0.799 . . . . 0.0 109.243 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.91 -51.51 47.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.443 ' CD1' ' HZ1' ' A' ' 29' ' ' LYS . 72.7 mt -53.56 -37.88 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.852 -1.155 . . . . 0.0 109.11 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.79 -45.33 78.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 0.0 109.485 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.26 -40.3 97.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 0.0 109.26 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.74 -41.97 82.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.278 -0.889 . . . . 0.0 108.689 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -61.33 -44.8 96.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -0.839 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -64.09 -41.32 97.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.025 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -64.04 -40.3 96.0 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.4 -0.812 . . . . 0.0 109.174 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -36.78 84.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 0.0 108.937 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -62.68 -50.65 70.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 109.15 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.62 -44.52 93.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.2 t -48.25 -45.26 34.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.301 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.277 -0.889 . . . . 0.0 108.988 179.627 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.134 0.492 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.57 -50.33 74.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.135 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 11' ' ' ILE . 30.9 mm -65.65 -38.96 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 0.0 109.374 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -37.63 80.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.602 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.44 -54.97 11.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.53 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -48.24 -39.59 21.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.26 -0.9 . . . . 0.0 109.215 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -65.64 -43.78 88.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.338 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.5 -40.66 96.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.39 90.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.33 -42.61 96.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.027 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LEU . 96.7 mt -63.84 -67.25 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.377 -0.827 . . . . 0.0 109.72 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' ILE . 6.9 ttpm? -36.16 -44.88 0.41 Allowed 'General case' 0 N--CA 1.504 2.242 0 CA-C-O 121.125 0.488 . . . . 0.0 110.504 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -65.79 -44.28 86.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -0.921 . . . . 0.0 109.418 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -61.74 -37.88 85.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 108.945 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.78 -42.64 94.91 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.169 -0.957 . . . . 0.0 109.321 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.91 -42.63 89.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.245 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -65.45 -35.63 81.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.876 . . . . 0.0 109.113 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.6 -40.6 84.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.371 -0.83 . . . . 0.0 109.405 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 m -63.3 -43.09 98.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 0.0 109.169 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.41 -36.88 83.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.359 -0.838 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -63.5 -44.73 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.285 -0.884 . . . . 0.0 109.162 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.45 -40.03 89.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.49 -38.12 88.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.526 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -66.96 -48.63 67.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' CD1' ' HZ1' ' B' ' 29' ' ' LYS . 82.1 mt -54.92 -33.89 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 120.865 -1.147 . . . . 0.0 108.942 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -68.82 -44.05 74.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 109.758 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -43.02 97.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.517 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.0 -42.04 81.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 109.272 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -61.74 -41.97 98.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.804 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.93 -36.72 84.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.905 . . . . 0.0 109.615 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.18 -50.57 73.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.52 -31.61 71.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 109.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.95 -49.55 75.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 109.225 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -63.75 -44.08 94.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.0 109.378 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -49.23 -45.55 44.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.681 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.21 -53.46 56.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.059 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.404 HD11 HG22 ' B' ' 11' ' ' ILE . 18.2 mm -66.3 -41.63 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.025 . . . . 0.0 109.785 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 tp -55.73 -39.33 70.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.1 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.8 mmm -66.69 -49.07 67.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.146 -0.971 . . . . 0.0 109.148 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -43.24 64.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -63.47 -44.51 94.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.112 -0.993 . . . . 0.0 109.855 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.72 -39.38 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.29 -39.68 94.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.57 -0.706 . . . . 0.0 109.535 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -62.06 -42.74 99.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.453 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 81.7 mt -66.05 -68.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.954 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 12.5 ttmm -40.58 -47.31 2.69 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.9 -44.3 94.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.211 -0.931 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 19' ' ' ILE . 15.2 tp -59.86 -35.65 75.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.184 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.63 -42.17 99.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.216 -0.927 . . . . 0.0 109.269 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -64.48 -42.56 95.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 109.074 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -65.47 -39.63 92.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.473 -0.767 . . . . 0.0 109.579 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.0 -37.53 84.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.2 -0.937 . . . . 0.0 109.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.9 t -63.02 -43.78 97.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 109.846 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.28 -39.8 89.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HZ1' ' CD1' ' A' ' 33' ' ' ILE . 18.4 tptm -64.06 -45.19 89.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.243 -0.911 . . . . 0.0 108.852 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.99 -39.22 84.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.436 -0.79 . . . . 0.0 109.048 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -36.94 79.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 0.0 109.2 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.57 -51.95 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.9 mt -52.76 -36.0 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.738 -1.226 . . . . 0.0 109.48 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.73 -43.96 78.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.0 109.637 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.76 -39.06 93.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.37 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.99 -44.47 80.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -59.58 -41.43 90.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.258 -0.901 . . . . 0.0 109.571 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -62.83 -42.0 99.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.986 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -59.89 -46.47 89.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.034 -1.041 . . . . 0.0 110.094 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.68 -34.31 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.084 -1.01 . . . . 0.0 109.841 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -58.67 -48.04 82.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.374 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.13 -43.92 73.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 t -46.78 -42.91 17.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 109.741 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.807 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -61.34 -44.59 96.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.997 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -69.48 -42.81 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.942 . . . . 0.0 110.049 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.79 -37.09 78.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.21 -52.93 56.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.362 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.99 -43.36 63.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.071 -1.018 . . . . 0.0 108.796 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -64.98 -44.69 88.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.211 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.47 -38.61 87.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.378 -0.826 . . . . 0.0 109.791 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.08 -33.51 70.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -61.51 -45.84 92.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.328 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.0 mm -67.11 -63.37 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ILE . 78.9 tttt -38.49 -43.83 0.88 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.714 -0.616 . . . . 0.0 110.011 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.72 -47.38 78.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.06 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -59.92 -38.48 82.48 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -59.22 -39.41 82.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.202 -0.936 . . . . 0.0 108.995 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.46 -42.74 87.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -0.848 . . . . 0.0 109.549 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -67.77 -38.72 83.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.384 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.74 -47.53 79.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 108.614 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -61.46 -39.54 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.093 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -61.78 -44.58 96.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.71 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.96 -43.3 99.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.874 . . . . 0.0 109.727 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -56.11 -44.15 78.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.08 -1.012 . . . . 0.0 109.12 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 109.057 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.47 -54.7 17.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.88 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -34.51 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.744 -1.223 . . . . 0.0 109.071 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -66.86 -45.85 76.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.355 -0.841 . . . . 0.0 109.681 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -63.42 -40.69 97.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.0 109.693 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.27 -42.54 93.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 109.476 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -61.07 -41.14 96.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.064 -1.023 . . . . 0.0 109.548 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.6 -40.16 96.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.88 . . . . 0.0 109.689 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -60.24 -51.53 69.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.77 -32.25 72.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.071 -1.018 . . . . 0.0 109.489 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.97 -49.54 77.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.64 -44.39 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 0.0 109.403 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -48.28 -50.34 30.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.199 -0.938 . . . . 0.0 109.525 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -60.03 -45.53 92.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.619 ' CG2' ' HZ3' ' B' ' 15' ' ' LYS . 1.9 mp -66.72 -41.98 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.728 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.66 -38.18 84.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.108 -0.995 . . . . 0.0 108.716 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.3 mtt -62.88 -54.41 39.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.595 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.61 -42.23 55.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.619 ' HZ3' ' CG2' ' B' ' 11' ' ' ILE . 40.8 mttp -63.75 -42.58 97.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.141 -0.975 . . . . 0.0 109.29 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -65.43 -40.75 93.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.0 109.607 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -64.43 -38.86 92.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.194 -0.941 . . . . 0.0 109.36 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.06 -41.85 99.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' B' ' 20' ' ' LYS . 88.8 mt -66.66 -69.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.615 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 59.1 tttm -39.02 -41.38 0.77 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.702 -0.623 . . . . 0.0 109.879 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' B' ' 25' ' ' ARG . 83.9 tt0 -66.17 -46.34 77.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.878 . . . . 0.0 109.038 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 45.0 tp -61.08 -36.51 79.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.411 -0.806 . . . . 0.0 108.971 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.43 -40.22 95.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.17 -41.2 94.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.355 -0.84 . . . . 0.0 109.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' B' ' 21' ' ' GLU . 97.6 mtt180 -69.24 -36.33 77.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.283 -0.885 . . . . 0.0 109.265 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -45.87 91.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 108.63 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.0 m -61.63 -40.35 94.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.291 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -65.75 -38.85 90.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.362 -0.836 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -63.41 -43.26 98.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.446 -0.784 . . . . 0.0 109.264 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -59.82 -42.53 93.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 108.808 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.22 -54.28 18.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.325 -0.859 . . . . 0.0 109.147 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.0 -35.82 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.833 -1.167 . . . . 0.0 109.098 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.11 -44.25 80.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.501 -0.749 . . . . 0.0 109.601 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.03 -38.45 91.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -44.7 73.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 108.888 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.62 -43.41 98.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -63.32 -35.69 81.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.456 ' O ' ' SG ' ' B' ' 43' ' ' CYS . 80.4 tttt -63.75 -52.61 59.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 109.701 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.53 -32.66 74.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -58.05 -47.31 83.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.96 . . . . 0.0 108.882 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -69.67 -43.26 72.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.217 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' B' ' 39' ' ' LYS . 69.3 m -47.48 -45.4 26.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.127 -0.983 . . . . 0.0 109.009 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.609 -0.682 . . . . 0.0 109.198 179.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.247 0.546 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -59.08 -45.66 90.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.27 -0.894 . . . . 0.0 109.828 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mm -65.88 -40.98 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 109.878 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.6 -45.08 95.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.58 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.23 -51.62 65.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.21 -0.931 . . . . 0.0 109.305 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -39.99 54.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 108.836 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HZ2' ' CD1' ' B' ' 12' ' ' LEU . 36.6 ttpt -65.04 -41.56 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.072 -1.018 . . . . 0.0 109.491 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -66.74 -39.99 88.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -61.5 -42.43 98.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.039 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.066 HD12 ' HZ2' ' B' ' 15' ' ' LYS . 90.5 mt -66.76 -66.74 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.849 . . . . 0.0 109.68 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ILE . 20.0 tptp -39.51 -42.57 1.15 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.721 -0.612 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.92 -46.24 88.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.0 108.994 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ILE . 61.9 tp -60.98 -32.71 72.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.893 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -63.8 -43.83 95.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.377 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.4 -40.39 93.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.357 -0.839 . . . . 0.0 109.318 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -46.69 87.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.324 -0.86 . . . . 0.0 108.964 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 m -64.03 -37.71 88.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.28 -0.888 . . . . 0.0 109.127 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -58.99 -49.16 78.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.93 -40.86 95.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.15 -0.968 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.62 -42.11 91.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.445 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.56 -38.52 91.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.422 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -67.97 -48.82 64.78 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.898 . . . . 0.0 109.004 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' ' HZ3' ' B' ' 29' ' ' LYS . 96.7 mt -54.55 -34.27 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.888 -1.132 . . . . 0.0 109.037 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.55 -42.94 81.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.99 -38.88 89.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.08 -41.86 94.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 109.16 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -62.89 -40.58 97.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.318 -0.864 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -62.07 -41.59 98.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -61.87 -47.61 84.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.762 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.91 -34.17 76.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.21 -0.931 . . . . 0.0 109.485 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -62.25 -50.91 69.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 109.367 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.14 -43.36 92.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.939 . . . . 0.0 109.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 t -48.42 -47.04 38.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -0.913 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.307 -0.871 . . . . 0.0 109.392 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.88 -46.39 90.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.519 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.48 -42.54 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.208 -0.932 . . . . 0.0 110.006 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.586 ' CD1' ' HZ2' ' A' ' 15' ' ' LYS . 12.1 tp -59.21 -42.7 91.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 109.71 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -65.44 -54.45 28.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -48.98 -37.26 19.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 1.066 ' HZ2' HD12 ' A' ' 19' ' ' ILE . 14.6 tptm -66.62 -40.8 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.659 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.96 -43.21 91.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.095 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -62.8 -37.34 86.34 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -0.844 . . . . 0.0 109.58 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.07 -45.21 89.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.281 -0.887 . . . . 0.0 109.802 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 22' ' ' LEU . 32.4 mm -67.27 -67.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 19' ' ' ILE . 77.8 tttt -40.28 -42.51 1.54 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.635 -0.665 . . . . 0.0 109.727 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.8 -44.96 95.82 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' B' ' 19' ' ' ILE . 63.6 tp -63.43 -34.11 77.04 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.52 -0.738 . . . . 0.0 109.246 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.34 -43.52 98.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 109.606 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -66.96 -37.76 84.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -67.99 -39.18 83.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.31 -0.869 . . . . 0.0 108.933 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.54 -41.52 92.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.387 -0.82 . . . . 0.0 109.079 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.0 p -65.02 -37.89 89.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.251 -0.906 . . . . 0.0 108.924 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.65 -39.86 73.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.465 ' HZ3' ' CD1' ' A' ' 33' ' ' ILE . 3.6 tmtp? -65.11 -45.93 83.14 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -58.05 -38.73 76.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 108.498 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.96 -36.32 79.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.014 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -68.3 -52.34 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.316 -0.865 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mm -52.24 -35.79 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.821 -1.174 . . . . 0.0 108.668 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.13 -44.52 83.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.384 -0.823 . . . . 0.0 109.295 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.347 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.39 -43.16 86.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.893 . . . . 0.0 108.824 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.73 -44.01 90.34 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.376 -0.827 . . . . 0.0 109.178 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -62.63 -39.55 94.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.392 -0.817 . . . . 0.0 109.326 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -59.84 -44.34 94.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.79 -35.04 79.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.217 -0.927 . . . . 0.0 109.785 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.82 -50.68 72.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.992 . . . . 0.0 109.063 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.05 -43.42 87.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.169 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.29 -49.61 42.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.24 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.23 -47.38 83.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.29 -0.881 . . . . 0.0 110.02 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.3 -40.49 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.179 -0.951 . . . . 0.0 110.011 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.25 -43.84 93.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 109.813 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -61.96 -56.5 18.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.112 -0.992 . . . . 0.0 109.545 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.16 -35.42 26.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 109.098 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -62.58 -45.38 93.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.257 -0.902 . . . . 0.0 109.284 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -59.51 -37.24 77.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.26 -38.54 91.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.335 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -62.59 -45.22 93.88 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LYS . 13.2 mm -63.22 -70.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.082 -1.011 . . . . 0.0 109.651 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ILE . 64.5 tttm -39.17 -41.14 0.81 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.791 -0.568 . . . . 0.0 110.194 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.8 -47.45 75.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.057 -1.027 . . . . 0.0 109.011 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -36.78 71.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.15 -44.21 96.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.941 . . . . 0.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -65.61 -40.51 92.7 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -64.72 -36.38 84.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.362 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.33 -39.68 78.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.076 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -60.01 -43.12 95.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.121 -0.987 . . . . 0.0 109.291 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.12 -40.92 97.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.192 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -47.42 86.35 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.357 -0.839 . . . . 0.0 109.089 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -55.55 -42.4 74.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.19 -37.04 79.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.379 -0.826 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.42 -57.35 6.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 0.0 109.738 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.96 -33.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.714 -1.241 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -64.63 -44.52 90.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.36 -0.838 . . . . 0.0 109.548 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.46 -38.76 92.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.401 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -44.37 84.02 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -58.76 -46.71 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.54 -42.71 95.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -63.97 -37.19 86.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -67.17 -38.94 86.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -62.48 -50.78 70.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.227 -0.921 . . . . 0.0 109.692 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -62.13 -43.24 99.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.9 t -49.27 -47.89 46.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.139 -0.976 . . . . 0.0 109.219 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.333 -0.854 . . . . 0.0 109.176 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.38 -47.79 82.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 109.773 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.03 -44.46 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.65 -40.51 92.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.177 -0.952 . . . . 0.0 109.317 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 65.0 mmm -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.77 -41.42 56.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.12 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -61.49 -42.63 99.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.15 -37.85 86.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.08 -36.99 86.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.21 -0.932 . . . . 0.0 109.525 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -63.94 -46.64 83.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 2.6 mp -65.43 -65.42 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 108.75 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 20' ' ' LYS . 6.4 ttpm? -40.3 -41.94 1.44 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.745 -0.597 . . . . 0.0 109.807 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.19 -47.34 74.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.134 -0.979 . . . . 0.0 108.891 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.03 -33.52 69.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 108.634 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.42 -41.76 93.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -66.2 -44.96 82.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.2 -0.937 . . . . 0.0 109.719 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -66.76 -35.19 79.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.88 -38.33 82.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.243 -0.911 . . . . 0.0 109.265 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -64.63 -40.26 95.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 109.583 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.18 -38.03 87.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.465 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -64.06 -42.97 96.83 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.32 -0.863 . . . . 0.0 109.112 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.26 -43.53 92.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.48 -38.34 77.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.267 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.43 -53.01 26.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.53 -36.34 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.82 -1.175 . . . . 0.0 109.553 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.215 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.58 -35.96 78.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.9 . . . . 0.0 109.5 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.21 -46.41 80.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.326 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.39 -39.62 93.83 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.211 -0.931 . . . . 0.0 109.564 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -63.56 -40.43 96.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.626 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -61.58 -46.58 89.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.232 -0.918 . . . . 0.0 109.546 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.92 -35.55 80.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.103 -0.998 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.06 -51.52 69.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.132 -0.98 . . . . 0.0 109.176 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -67.06 -41.38 86.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 108.91 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 t -44.23 -42.85 6.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.609 -0.682 . . . . 0.0 109.937 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.145 -0.972 . . . . 0.0 109.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -62.06 -45.08 95.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.872 . . . . 0.0 109.861 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 -42.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.05 -38.3 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.134 -0.979 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -64.21 -56.29 15.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.99 -40.23 29.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 0.0 108.867 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -63.0 -42.12 99.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.265 -0.897 . . . . 0.0 109.014 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.74 -38.9 92.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.66 -35.44 80.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 0.0 109.45 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -63.76 -46.42 85.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 30.9 mm -66.58 -65.61 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.0 109.606 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 50.9 tttp -39.16 -43.42 1.07 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.756 -0.59 . . . . 0.0 110.212 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.44 -47.46 83.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.048 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.496 ' CD1' HH21 ' A' ' 25' ' ' ARG . 28.4 tp -62.63 -36.14 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.286 -0.884 . . . . 0.0 109.194 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -60.47 -40.81 92.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.251 -0.906 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -66.69 -40.71 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.348 -0.845 . . . . 0.0 109.141 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.496 HH21 ' CD1' ' A' ' 22' ' ' LEU . 33.0 ttp180 -66.65 -36.58 82.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 0.0 109.06 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -46.55 89.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.389 -0.82 . . . . 0.0 108.854 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.55 -40.33 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.136 -0.977 . . . . 0.0 109.256 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.39 -41.07 96.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.0 109.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -63.81 -49.8 71.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 109.231 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -52.44 -40.06 61.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.75 -37.23 86.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 109.443 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.05 -50.92 60.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 109.811 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.26 -37.73 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.72 -1.238 . . . . 0.0 109.198 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -64.27 -45.08 89.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.53 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.03 -37.54 86.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.732 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -42.22 94.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 0.0 108.987 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -62.08 -44.18 97.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -62.18 -40.8 97.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.905 . . . . 0.0 109.552 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -63.97 -41.2 97.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.873 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.71 -36.29 83.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.884 . . . . 0.0 108.935 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -62.63 -51.08 68.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.767 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -61.13 -46.73 89.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.4 m -48.82 -47.59 42.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.14 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 109.527 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.188 0.518 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' B' ' 10' ' ' LYS . 8.7 mtmp? -62.65 -47.23 84.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.855 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.401 HD13 HG23 ' B' ' 11' ' ' ILE . 18.5 mm -69.12 -45.26 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -42.58 99.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.019 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mmm -60.11 -54.95 39.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.161 -0.962 . . . . 0.0 109.096 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.61 -38.58 46.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.299 -0.876 . . . . 0.0 109.095 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -66.18 -41.52 90.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.187 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -62.99 -37.64 87.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -66.87 -34.85 78.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.268 -0.895 . . . . 0.0 109.118 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -62.1 -47.5 84.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.9 mm -67.36 -65.1 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.247 -0.908 . . . . 0.0 109.648 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.4 tttt -39.68 -46.29 1.82 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.752 -0.592 . . . . 0.0 110.082 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.66 -46.47 90.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.142 -0.973 . . . . 0.0 108.804 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.35 -35.19 75.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.389 -0.819 . . . . 0.0 108.913 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.02 -39.71 93.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.34 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.94 -44.15 85.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.0 109.569 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.71 -36.66 81.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 0.0 109.273 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.44 -44.29 97.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.302 -0.873 . . . . 0.0 109.146 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -63.67 -38.03 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.177 -0.952 . . . . 0.0 108.994 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.5 -44.32 93.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.345 -0.847 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.24 -44.18 97.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -52.11 -48.76 64.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.98 -34.02 75.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.259 -0.901 . . . . 0.0 109.439 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.53 -55.44 11.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -49.82 -36.97 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.807 -1.183 . . . . 0.0 109.28 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.26 -43.86 85.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.75 -40.55 95.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.162 -0.961 . . . . 0.0 110.179 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -43.96 79.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 0.0 109.044 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -56.31 -45.46 80.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.03 -1.044 . . . . 0.0 109.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -63.97 -41.47 97.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.855 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.69 -48.59 78.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.948 . . . . 0.0 109.615 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.48 -33.08 74.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.889 . . . . 0.0 109.089 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.499 ' HD1' ' C ' ' B' ' 41' ' ' HIS . 2.8 t-80 -63.77 -51.97 62.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -59.36 -48.38 81.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.208 -0.933 . . . . 0.0 109.458 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -48.92 -47.86 43.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 0.0 109.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 108.975 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.179 0.514 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -59.46 -46.29 89.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.436 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 11' ' ' ILE . 27.3 mm -67.98 -43.12 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 109.473 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tt -58.24 -43.53 87.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.176 -0.952 . . . . 0.0 108.792 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.35 -54.45 46.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.643 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -44.74 56.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.149 -0.97 . . . . 0.0 108.905 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.22 -41.63 93.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.126 -0.984 . . . . 0.0 109.096 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -64.27 -40.19 95.49 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.353 -0.842 . . . . 0.0 109.593 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.73 -39.36 93.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -60.96 -43.09 99.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.267 -0.896 . . . . 0.0 109.157 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 93.3 mt -64.19 -71.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.78 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ILE . 90.4 mttt -39.36 -39.47 0.66 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.782 -0.574 . . . . 0.0 110.383 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.49 -47.97 81.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.951 -1.093 . . . . 0.0 108.865 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -36.07 81.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.918 . . . . 0.0 108.582 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -59.8 -42.09 92.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.551 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -66.21 -41.31 90.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -66.04 -38.07 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.332 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -42.87 95.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 109.06 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -63.12 -42.67 99.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.967 . . . . 0.0 109.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.78 -40.22 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.282 -0.886 . . . . 0.0 109.783 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -63.26 -42.29 99.15 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.088 -1.008 . . . . 0.0 109.134 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.06 -41.6 88.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.064 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 109.224 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.5 -49.55 66.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.496 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.2 -38.12 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.81 -1.181 . . . . 0.0 109.586 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.29 -44.88 82.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.085 -1.009 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.35 -41.91 90.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -42.93 88.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 108.931 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.59 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.993 . . . . 0.0 110.043 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -61.39 -38.74 88.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.171 -0.955 . . . . 0.0 109.43 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.87 -47.24 84.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.98 -36.02 83.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.743 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.56 -45.8 88.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.175 -0.953 . . . . 0.0 108.677 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -66.43 -46.43 76.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 0.0 109.253 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 t -48.24 -51.54 25.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 109.787 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 109.653 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.145 0.497 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.51 -46.45 86.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.01 . . . . 0.0 109.73 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.54 -40.77 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.866 . . . . 0.0 109.41 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -44.74 96.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.0 108.765 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.68 -54.28 41.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.614 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -41.87 59.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.028 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -62.81 -41.86 99.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.451 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.85 -39.1 87.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.453 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -59.53 -41.36 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -63.91 -43.31 96.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.41 -0.806 . . . . 0.0 109.166 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 22' ' ' LEU . 97.1 mt -63.2 -70.85 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 0.0 109.554 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 62.7 mttm -39.61 -44.75 1.52 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.732 -0.605 . . . . 0.0 109.996 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -63.23 -44.54 94.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.171 -0.955 . . . . 0.0 109.0 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tp -60.77 -37.44 81.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.838 . . . . 0.0 109.292 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.26 -42.65 98.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.199 -0.938 . . . . 0.0 109.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -67.05 -41.37 86.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 0.0 109.4 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.81 -36.48 82.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.678 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.26 -40.28 90.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.943 . . . . 0.0 109.444 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -67.26 -37.76 84.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.641 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.093 -1.004 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.21 -38.68 84.09 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.333 -0.854 . . . . 0.0 108.785 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.44 -38.37 83.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -67.1 -54.59 19.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.151 -0.968 . . . . 0.0 109.554 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -52.7 -33.34 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.734 -1.229 . . . . 0.0 108.799 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.96 -43.5 87.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.02 -42.48 99.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 109.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -46.15 79.56 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -51.98 -49.02 64.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.143 -0.973 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -65.74 -39.92 91.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 109.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.58 -48.28 81.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 109.875 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.66 -35.01 79.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 0.0 109.524 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' GLN . 59.2 t-80 -60.9 -47.9 84.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 108.973 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -67.55 -44.95 77.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.281 -0.887 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.62 -44.21 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' HIS . 2.7 pt20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 109.679 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -63.35 -45.57 90.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.417 -0.802 . . . . 0.0 109.903 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.26 -43.9 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 109.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.1 -41.15 91.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.826 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 mmt -57.21 -51.6 68.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.069 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -41.39 61.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 108.76 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.79 -42.2 91.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.58 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -65.21 -42.59 93.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.347 -0.846 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.98 -40.41 95.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.4 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -62.1 -42.43 99.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -0.861 . . . . 0.0 109.406 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -64.18 -70.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.893 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ILE . 61.1 tttm -40.0 -44.87 1.81 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.622 -0.674 . . . . 0.0 110.128 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 41.9 tt0 -62.41 -45.73 91.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.121 -0.987 . . . . 0.0 108.871 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.59 -33.56 68.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.449 -0.782 . . . . 0.0 108.938 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.83 -41.68 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -64.27 -43.01 96.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.137 -0.977 . . . . 0.0 110.181 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 21' ' ' GLU . 85.8 mtt180 -66.9 -39.86 87.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.036 . . . . 0.0 109.225 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.51 -38.73 87.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.468 -0.77 . . . . 0.0 109.603 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.8 p -64.64 -37.66 88.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.91 -40.95 91.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.278 -0.889 . . . . 0.0 109.638 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -63.6 -40.54 97.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.16 -40.33 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.959 . . . . 0.0 109.651 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.6 -39.32 93.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 109.384 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -67.32 -49.49 63.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.28 -0.887 . . . . 0.0 109.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 33' ' ' ILE . 94.3 mt -53.54 -35.97 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.914 -1.116 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.96 -44.17 85.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.436 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.97 -35.92 81.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.0 109.949 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.65 -42.16 91.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.82 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -63.69 -42.1 98.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.162 -0.961 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -62.86 -41.92 99.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.035 -1.04 . . . . 0.0 108.876 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -62.16 -42.5 99.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.417 -0.802 . . . . 0.0 109.185 179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.97 -37.72 83.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.477 -0.764 . . . . 0.0 109.259 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -60.46 -46.3 90.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.049 -1.032 . . . . 0.0 108.926 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.25 -42.72 93.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.383 -0.823 . . . . 0.0 109.516 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 55.9 m -53.03 -53.08 55.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 110.421 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.188 -179.123 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -58.93 -46.21 88.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 0.0 109.802 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.916 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 63.8 mmm -61.11 -52.86 63.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.83 -39.23 58.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 109.358 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.32 -42.47 96.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.977 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -65.09 -42.41 94.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 109.817 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.11 -35.8 81.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 0.0 109.509 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.59 -44.01 95.3 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.242 -0.911 . . . . 0.0 109.149 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.422 HG22 HD12 ' B' ' 19' ' ' ILE . 95.9 mt -62.76 -68.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 0.0 109.685 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.2 ttpp -39.84 -41.39 1.13 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.702 -0.624 . . . . 0.0 110.019 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.41 -47.02 87.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.938 . . . . 0.0 109.048 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.93 -32.48 69.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.154 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -63.31 -46.09 88.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 109.374 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.12 -41.56 81.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.192 -0.943 . . . . 0.0 109.718 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -65.78 -38.12 88.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 0.0 109.724 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.95 -39.89 83.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.451 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.3 -40.28 93.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.77 -37.51 84.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.405 -0.809 . . . . 0.0 109.391 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.87 -52.52 62.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.309 -0.869 . . . . 0.0 109.333 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.28 -38.16 70.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.224 -0.923 . . . . 0.0 109.143 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.38 -36.9 79.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.423 -0.798 . . . . 0.0 109.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.38 -56.04 9.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.4 -31.06 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.51 -1.369 . . . . 0.0 108.092 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -67.87 -47.35 69.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.408 -0.808 . . . . 0.0 109.095 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.71 -42.8 97.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.801 . . . . 0.0 109.802 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.73 -38.38 83.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.898 . . . . 0.0 109.433 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.69 -43.28 94.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.499 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -65.03 -42.44 94.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -61.74 -39.38 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.955 . . . . 0.0 109.255 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -37.01 76.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 108.907 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -61.58 -47.59 84.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.938 . . . . 0.0 109.705 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -62.65 -43.54 98.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.247 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.58 -50.09 43.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 0.0 109.444 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.301 0.572 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -62.73 -42.98 99.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.12 -0.988 . . . . 0.0 110.07 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -66.13 -46.47 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.494 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -41.79 98.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.144 -0.973 . . . . 0.0 109.146 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.65 -55.82 26.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.991 -1.068 . . . . 0.0 109.26 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.74 -39.95 19.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 0.0 108.702 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -65.88 -39.33 90.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.65 -39.11 92.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -65.79 -36.05 82.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.28 -0.887 . . . . 0.0 109.091 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.9 -45.51 94.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.506 -0.746 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.6 mm -66.61 -64.89 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.945 . . . . 0.0 109.875 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ILE . 3.2 ttmp? -37.3 -43.5 0.54 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.761 -0.587 . . . . 0.0 110.137 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.1 -44.99 87.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.214 -0.929 . . . . 0.0 108.792 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -61.12 -37.38 82.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.87 -42.55 98.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.06 -1.025 . . . . 0.0 109.164 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -69.0 -40.02 78.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.278 -0.889 . . . . 0.0 109.518 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -65.71 -38.33 88.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.296 -0.877 . . . . 0.0 109.261 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.34 -41.45 93.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.906 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -61.8 -40.13 94.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.19 -41.67 99.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.911 . . . . 0.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.81 -48.35 80.98 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -53.23 -44.53 68.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 0.0 109.403 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.52 -35.75 76.74 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.225 -0.922 . . . . 0.0 109.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.97 -52.5 35.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.0 109.971 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 mm -53.14 -35.89 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.69 -1.256 . . . . 0.0 109.195 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -65.04 -46.7 80.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -67.38 -37.52 83.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.504 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -66.51 -44.29 82.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.306 -0.871 . . . . 0.0 109.17 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -59.54 -41.66 90.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.53 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -63.95 -38.86 92.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.0 109.778 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 33.7 ttpt -62.03 -46.75 87.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.196 -0.94 . . . . 0.0 109.858 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.67 -33.5 75.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.074 -1.016 . . . . 0.0 109.637 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.94 -51.49 67.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 109.229 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.15 -43.54 94.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.235 -0.915 . . . . 0.0 109.31 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 70.9 m -48.58 -47.05 39.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.461 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.126 0.489 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.63 -54.19 49.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.225 -0.922 . . . . 0.0 110.203 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.84 -37.27 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.023 -1.048 . . . . 0.0 109.377 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.94 -42.11 84.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 0.0 109.106 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 41.5 mtt -69.59 -51.93 30.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 109.106 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.08 -43.8 41.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.209 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.99 -44.85 95.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.19 -0.944 . . . . 0.0 108.563 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.79 -41.23 86.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.13 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -64.08 -41.2 97.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.389 -0.819 . . . . 0.0 110.263 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.25 -48.74 80.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.165 -0.959 . . . . 0.0 109.914 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' B' ' 20' ' ' LYS . 1.4 mp -63.29 -65.47 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.995 . . . . 0.0 109.439 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.9 tttt -36.6 -45.99 0.55 Allowed 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.194 0.521 . . . . 0.0 110.602 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -60.46 -47.98 83.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 108.706 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 19' ' ' ILE . 34.7 tp -58.5 -34.94 71.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.457 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -61.87 -45.59 93.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 109.946 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -68.46 -39.17 81.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.932 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -66.41 -36.97 84.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.181 -0.95 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.09 -40.02 86.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.584 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -63.53 -41.55 98.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.12 -38.75 86.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.536 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.7 -46.62 81.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.227 -0.921 . . . . 0.0 108.99 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -55.79 -40.8 73.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.005 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.26 -34.11 76.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.0 108.952 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.67 -52.62 24.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.416 HG23 HD13 ' B' ' 33' ' ' ILE . 23.3 mm -56.08 -33.44 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -67.14 -42.56 84.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.41 -37.14 84.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.42 -42.98 82.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 108.781 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -43.22 95.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.195 -0.94 . . . . 0.0 109.351 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.98 -41.67 95.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.339 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.3 -41.05 98.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.275 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.64 -37.49 84.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.373 -0.83 . . . . 0.0 109.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.75 -47.52 85.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.228 -0.92 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -69.21 -42.09 76.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.339 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 t -47.68 -43.75 26.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.743 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 0.0 109.408 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.33 -46.4 88.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.907 . . . . 0.0 109.82 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.26 -41.36 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.807 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.49 -44.16 97.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 108.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mmm -59.02 -52.44 65.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.85 -40.27 55.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -64.33 -39.98 94.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.163 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.04 -41.14 91.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.426 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.13 -40.08 96.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.294 -0.879 . . . . 0.0 109.468 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -62.38 -42.63 99.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.41 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.9 mt -64.92 -69.77 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.66 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.6 ttpp -40.63 -44.62 2.17 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 109.918 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.83 -46.13 89.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 108.816 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.07 -37.06 78.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.071 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -63.74 -40.42 96.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.741 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.23 -41.44 94.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -66.43 -34.14 77.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.919 . . . . 0.0 109.037 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -39.81 86.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 108.899 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.1 t -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.17 -0.956 . . . . 0.0 109.328 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.24 -38.36 90.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.11 -44.85 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -56.76 -42.63 79.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.85 -38.82 89.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.71 -50.38 62.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.06 -37.75 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.74 -42.57 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 0.0 109.307 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -62.23 -42.6 99.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.55 -46.94 71.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.286 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -57.29 -43.34 83.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -0.938 . . . . 0.0 109.497 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.76 -38.03 88.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -60.0 -45.04 94.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 109.764 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -35.09 77.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.118 -0.989 . . . . 0.0 109.636 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.0 -50.46 74.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -68.08 -46.27 71.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.53 -49.02 27.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.478 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 109.487 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -60.98 -44.03 97.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.045 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.78 -41.98 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 109.712 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.33 -38.55 87.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.124 -0.985 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 13.4 mmt -64.77 -55.22 21.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -41.95 46.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.299 -0.876 . . . . 0.0 108.932 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -63.37 -41.41 98.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.191 -0.943 . . . . 0.0 109.338 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -65.91 -39.22 90.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -0.946 . . . . 0.0 109.405 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.87 -37.6 88.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.091 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -63.21 -43.29 98.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.299 -0.876 . . . . 0.0 109.152 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 85.2 mt -65.75 -71.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.0 tptp -41.02 -42.7 1.98 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.578 -0.701 . . . . 0.0 109.624 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.07 -46.18 88.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.953 . . . . 0.0 108.566 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 6.3 tt -58.11 -37.77 75.21 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.01 -44.45 92.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.918 . . . . 0.0 109.32 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -67.15 -37.23 83.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 108.905 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.65 -42.45 95.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.7 p -65.81 -37.81 87.27 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.901 . . . . 0.0 108.976 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.65 -44.15 91.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.412 -0.805 . . . . 0.0 109.053 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -60.89 -38.63 86.34 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.3 -38.64 87.54 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.457 -0.777 . . . . 0.0 109.297 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.5 -38.83 92.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -68.42 -56.94 6.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.22 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -51.29 -36.33 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.866 -1.146 . . . . 0.0 109.057 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.63 -42.55 86.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.363 -0.836 . . . . 0.0 109.489 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.67 -41.07 98.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.486 -0.759 . . . . 0.0 109.918 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.33 -38.84 88.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.141 -0.974 . . . . 0.0 108.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -56.99 -46.46 82.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.214 -0.929 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -66.67 -41.82 87.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -60.09 -39.43 86.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 108.766 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.5 ' O ' ' SG ' ' B' ' 43' ' ' CYS . 15.5 tp -69.18 -36.81 77.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.267 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.14 -47.23 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.132 -0.98 . . . . 0.0 109.874 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.61 -46.48 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 109.699 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 40' ' ' LEU . 2.0 p -48.35 -41.94 30.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.982 -1.074 . . . . 0.0 109.497 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 4.3 tp-100 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.263 -0.898 . . . . 0.0 109.145 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.272 0.558 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.93 -45.87 91.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.861 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -67.63 -40.23 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 109.787 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.51 -53.96 49.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 0.0 109.48 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -42.31 32.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.157 -0.964 . . . . 0.0 109.022 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.12 -41.36 97.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -64.04 -39.47 94.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.661 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.47 -38.16 90.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.188 -0.945 . . . . 0.0 109.556 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -63.46 -46.39 86.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 34.1 mm -67.65 -64.63 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.103 -0.998 . . . . 0.0 109.513 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ILE . 19.8 tptm -39.64 -45.92 1.74 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.648 -0.657 . . . . 0.0 109.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.71 -46.15 86.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 0.0 109.106 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.33 -36.86 78.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.862 . . . . 0.0 109.269 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.23 -40.05 94.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.99 -42.4 94.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 0.0 109.259 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -66.45 -36.03 81.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.06 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 -42.39 98.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.362 -0.836 . . . . 0.0 109.013 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.3 m -64.62 -38.82 92.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.925 . . . . 0.0 109.201 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -64.31 -42.69 96.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.03 -41.09 91.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 108.943 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.23 -43.09 99.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.437 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.04 -38.16 90.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.118 -0.989 . . . . 0.0 109.956 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.31 -49.53 69.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.047 -1.033 . . . . 0.0 108.963 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 33' ' ' ILE . 91.8 mt -52.98 -34.69 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.915 -1.116 . . . . 0.0 108.315 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -65.25 -43.93 89.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.264 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -64.73 -42.93 94.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.366 -0.834 . . . . 0.0 109.669 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.91 -42.21 98.82 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.56 -43.31 99.1 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.512 -0.742 . . . . 0.0 109.023 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -32.9 72.65 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.566 -0.708 . . . . 0.0 109.473 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.26 -55.53 10.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.63 -35.33 79.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.942 -1.099 . . . . 0.0 109.485 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -61.2 -49.61 76.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.943 -1.098 . . . . 0.0 108.766 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -63.37 -49.24 74.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 109.378 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.86 -43.07 28.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 109.939 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.083 -1.011 . . . . 0.0 109.926 -179.635 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -0.918 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 2.0 mp -65.43 -41.13 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 0.0 109.483 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.79 -38.76 89.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mtp -63.23 -55.22 26.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.95 . . . . 0.0 109.648 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.96 -38.36 50.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -63.34 -43.2 98.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.303 -0.873 . . . . 0.0 109.52 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.21 -40.23 90.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.23 -0.919 . . . . 0.0 109.774 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.19 -38.2 90.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 109.468 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.93 -43.37 96.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.48 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.8 mt -64.08 -69.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.774 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.8 ttpt -39.32 -43.13 1.12 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.73 -0.606 . . . . 0.0 110.199 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.63 -47.34 86.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -0.953 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.59 -34.62 71.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.129 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -63.55 -42.78 98.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.613 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -66.16 -42.67 88.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.872 . . . . 0.0 109.715 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.99 -37.68 86.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 109.294 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.69 -38.31 86.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.421 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.7 m -65.02 -42.21 94.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.549 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.81 -40.55 97.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.336 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -63.06 -42.07 99.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.299 -0.876 . . . . 0.0 108.863 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.88 -40.32 79.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.24 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -64.11 -35.2 79.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 0.0 109.028 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -67.2 -58.86 4.06 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.616 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' B' ' 33' ' ' ILE . 1.4 mp -53.58 -31.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.688 -1.258 . . . . 0.0 108.651 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.0 -46.27 78.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.17 -37.66 88.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.128 -0.982 . . . . 0.0 109.082 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.38 -44.83 82.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -63.99 -42.43 97.21 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.411 -0.805 . . . . 0.0 109.697 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -62.66 -42.72 99.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 109.908 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.95 -42.06 97.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.501 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.34 -35.25 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.59 -45.6 93.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 0.0 109.334 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.95 -46.04 75.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.61 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.4 m -48.13 -46.96 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 0.0 109.552 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 109.4 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.221 0.534 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -64.46 -45.84 85.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.36 -43.32 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.241 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.89 -41.59 98.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.175 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.54 -54.7 24.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.38 -37.09 35.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 108.731 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -63.4 -42.96 98.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.339 -0.851 . . . . 0.0 108.714 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -63.21 -38.19 90.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -63.21 -38.59 91.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.221 -0.925 . . . . 0.0 109.374 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.79 -48.86 77.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 109.827 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 26.8 mm -66.37 -65.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.16 -0.963 . . . . 0.0 109.877 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 77.7 tttt -39.41 -40.24 0.78 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.601 -0.687 . . . . 0.0 110.066 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' OE2' ' NE ' ' A' ' 25' ' ' ARG . 14.5 tm-20 -63.79 -48.87 75.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.09 -36.03 78.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 0.0 109.46 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -62.35 -41.96 99.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -65.64 -41.77 92.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' ' OE2' ' A' ' 21' ' ' GLU . 93.2 mtt180 -65.5 -33.71 76.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.871 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -45.64 93.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 108.807 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -61.04 -41.96 97.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.03 -39.32 93.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.363 -0.835 . . . . 0.0 109.725 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -64.22 -43.54 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 109.09 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.61 -42.17 82.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.412 -0.805 . . . . 0.0 109.089 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -62.94 -36.7 84.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.253 -0.905 . . . . 0.0 108.835 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.99 -51.83 42.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 109.475 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -54.01 -36.41 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.863 -1.148 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -68.86 -42.49 77.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.167 -0.958 . . . . 0.0 109.716 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.16 -39.09 93.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.16 -0.963 . . . . 0.0 109.21 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -40.12 89.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.81 -46.3 90.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -63.59 -42.14 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.11 -0.994 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 77.5 tttt -59.61 -39.09 83.08 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.216 -0.927 . . . . 0.0 108.619 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.71 -36.2 81.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.01 -50.38 72.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.439 -0.788 . . . . 0.0 109.32 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -65.86 -42.59 90.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.262 -0.899 . . . . 0.0 109.267 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 91.3 m -47.12 -52.28 15.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.266 -0.896 . . . . 0.0 109.365 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.049 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.15 -45.68 92.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 109.841 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.91 -42.68 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 109.776 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.13 -43.12 95.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 109.244 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -53.66 52.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.111 -0.993 . . . . 0.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.202 -0.936 . . . . 0.0 109.232 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.84 -47.32 86.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.247 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.55 -36.75 83.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.213 -0.929 . . . . 0.0 109.139 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -59.85 -42.48 93.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.092 -1.005 . . . . 0.0 109.196 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -61.76 -48.9 78.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.8 mm -67.23 -65.25 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -0.944 . . . . 0.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.49 ' HE3' ' HZ2' ' B' ' 24' ' ' LYS . 37.4 tttp -37.13 -45.89 0.65 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -62.77 -48.53 78.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.169 -0.957 . . . . 0.0 108.831 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 19' ' ' ILE . 58.7 tp -60.58 -33.5 72.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 0.0 109.275 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.397 -0.814 . . . . 0.0 109.515 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.49 ' HZ2' ' HE3' ' B' ' 20' ' ' LYS . 54.7 mttp -65.24 -40.66 94.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.312 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt-85 -68.04 -34.29 76.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.325 -0.859 . . . . 0.0 109.006 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -47.62 85.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.423 -0.798 . . . . 0.0 109.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' B' ' 28' ' ' GLU . 57.9 p -63.67 -39.46 94.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.006 . . . . 0.0 109.411 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.614 ' N ' ' HG ' ' B' ' 27' ' ' SER . 77.1 tt0 -63.85 -40.69 97.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.928 . . . . 0.0 109.626 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -63.9 -44.85 91.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.0 109.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -55.18 -39.98 70.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 0.0 108.722 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.77 -38.63 91.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.504 -0.748 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.18 -54.21 16.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.272 -0.893 . . . . 0.0 109.762 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.76 -35.04 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.863 -1.148 . . . . 0.0 109.455 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.5 -41.52 88.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.54 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -65.99 -35.53 80.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -43.7 87.37 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -56.93 -47.08 81.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.624 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -63.03 -40.67 98.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.163 -0.961 . . . . 0.0 109.713 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.95 -42.09 93.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.183 -0.948 . . . . 0.0 109.586 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -37.16 85.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.354 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.87 -47.36 86.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.987 -1.071 . . . . 0.0 109.304 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.87 -45.95 73.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 109.458 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' B' ' 44' ' ' GLN . 92.2 m -48.32 -44.54 34.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' CYS . 51.6 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.769 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.05 -43.3 95.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.08 -46.21 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.362 -0.836 . . . . 0.0 109.959 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -44.3 96.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 109.033 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 mtt -58.4 -52.74 64.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 109.123 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.94 -41.54 59.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.22 -40.51 96.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.882 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -66.14 -37.17 85.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.875 . . . . 0.0 109.184 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.8 -44.57 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.548 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.28 -43.02 99.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.243 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' LEU . 95.7 mt -65.16 -68.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.291 -0.881 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.9 tttm -40.85 -42.29 1.78 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.642 -0.661 . . . . 0.0 109.572 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 50.1 tp10 -63.45 -45.21 91.88 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 19' ' ' ILE . 2.2 tt -59.56 -37.86 79.57 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.44 -40.95 98.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 7.7 ttpm? -64.59 -45.6 86.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.735 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -65.81 -37.58 86.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 0.0 109.102 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.161 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 m -62.7 -40.65 97.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 0.0 109.662 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -66.58 -38.73 87.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.0 109.515 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.532 ' HZ3' HD13 ' A' ' 33' ' ' ILE . 17.3 tptp -61.39 -50.4 73.0 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.283 -0.886 . . . . 0.0 108.798 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -52.38 -45.82 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.103 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.03 -34.78 66.19 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.68 -53.81 12.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.513 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.532 HD13 ' HZ3' ' A' ' 29' ' ' LYS . 12.2 mm -55.19 -36.3 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.751 -1.218 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.38 -43.3 86.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.886 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -67.39 -37.16 82.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.905 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -44.56 90.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.893 . . . . 0.0 108.738 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.33 -41.08 92.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.0 109.429 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -61.74 -40.3 94.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.371 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.47 -46.48 88.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.54 -34.86 78.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.85 -49.42 74.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.139 -0.975 . . . . 0.0 109.204 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.67 -45.69 74.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.366 -0.834 . . . . 0.0 109.459 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -47.44 -46.24 26.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.382 -0.824 . . . . 0.0 109.698 -179.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -59.49 -46.39 88.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.53 -40.57 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.561 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -39.9 93.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.303 -0.873 . . . . 0.0 109.128 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 66.0 mmm -66.77 -58.0 5.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.979 . . . . 0.0 109.641 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 tp -48.14 -41.56 27.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.385 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.62 -42.27 98.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.339 -0.851 . . . . 0.0 109.119 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.74 -38.0 86.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.845 . . . . 0.0 109.421 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -63.33 -36.34 83.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.81 -46.11 83.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 109.328 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 22' ' ' LEU . 2.1 mp -66.94 -69.29 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.078 -1.014 . . . . 0.0 109.319 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.6 ttpp -38.31 -42.51 0.72 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.665 -0.647 . . . . 0.0 110.363 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.89 -46.28 85.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.0 108.823 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' ILE . 57.6 tp -61.31 -36.4 80.02 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 108.971 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.15 -38.36 86.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 108.97 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.11 -39.96 90.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 0.0 109.287 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -70.47 -38.82 74.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.27 -47.09 86.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 108.839 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.1 p -63.29 -37.98 89.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.087 -1.008 . . . . 0.0 109.016 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -64.84 -40.39 95.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.4 -0.812 . . . . 0.0 109.109 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -63.83 -44.5 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -38.82 84.38 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.254 -0.904 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.36 -39.64 91.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.347 -0.845 . . . . 0.0 109.314 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -70.63 -49.73 44.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.128 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.6 mt -51.35 -38.23 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.829 -1.169 . . . . 0.0 108.966 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -68.54 -43.33 76.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.469 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -64.72 -38.31 90.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.275 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -44.36 82.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -60.3 -42.17 94.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.659 HH12 ' NZ ' ' B' ' 42' ' ' LYS . 70.6 ttt-85 -60.79 -41.47 95.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -62.93 -42.14 99.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.777 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.02 -37.34 83.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 0.0 109.778 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.82 -54.0 41.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.204 -0.935 . . . . 0.0 109.694 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.659 ' NZ ' HH12 ' B' ' 38' ' ' ARG . 49.6 mtmt -60.24 -45.4 93.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 t -48.78 -43.19 37.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.225 -0.922 . . . . 0.0 109.287 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.444 -0.785 . . . . 0.0 109.412 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.169 0.509 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.03 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.461 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.5 mt -68.41 -39.77 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.144 -0.972 . . . . 0.0 109.836 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 0.0 109.011 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmt -60.17 -54.69 42.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.126 -0.984 . . . . 0.0 109.206 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.52 -34.96 27.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -62.65 -44.37 96.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.851 . . . . 0.0 108.839 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -65.36 -39.29 92.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.871 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.22 -43.31 92.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.251 -0.906 . . . . 0.0 109.406 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.9 -44.0 91.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 108.937 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -62.16 -70.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 76.1 tttt -40.04 -46.27 2.09 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.754 -0.591 . . . . 0.0 109.965 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.7 -46.4 85.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.986 -1.071 . . . . 0.0 109.317 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.2 -37.04 69.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.245 -0.909 . . . . 0.0 108.586 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.31 -40.35 97.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.482 -0.761 . . . . 0.0 109.206 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.68 -45.81 77.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 109.954 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -63.06 -36.5 83.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.089 -1.007 . . . . 0.0 109.42 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.31 -38.62 88.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.034 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' A' ' 28' ' ' GLU . 84.7 p -64.1 -39.73 94.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.58 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.614 ' N ' ' HG ' ' A' ' 27' ' ' SER . 96.3 mt-10 -66.62 -40.43 88.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 109.75 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -66.3 -45.66 79.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.626 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.65 -38.91 82.71 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.145 -0.972 . . . . 0.0 109.17 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.08 -38.58 91.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.883 . . . . 0.0 109.277 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.25 -48.86 69.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.208 -0.933 . . . . 0.0 109.385 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.3 mt -55.49 -34.38 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.858 -1.151 . . . . 0.0 109.012 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -65.04 -44.72 88.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -45.2 81.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.382 -0.824 . . . . 0.0 108.999 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -59.87 -41.63 91.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.744 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.66 -39.41 93.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 109.634 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.81 -46.74 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.729 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.2 -33.17 75.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.938 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.13 -49.84 74.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.441 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.71 -44.05 94.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.332 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.36 -48.98 36.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.359 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 109.335 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.29 -49.41 76.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.37 -0.831 . . . . 0.0 110.095 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.51 -47.27 86.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.174 -0.954 . . . . 0.0 109.721 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.9 mtt -63.83 -55.39 23.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.06 -1.025 . . . . 0.0 109.556 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.68 -37.11 49.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.215 -0.928 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.69 -46.3 90.31 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -61.46 -35.21 76.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 108.91 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -59.35 -43.91 92.73 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.449 -0.782 . . . . 0.0 109.089 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.14 -43.42 98.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.652 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' B' ' 22' ' ' LEU . 25.8 mm -62.32 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.041 . . . . 0.0 109.715 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.8 mtpp -37.66 -40.51 0.42 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.749 -0.594 . . . . 0.0 110.579 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -63.23 -47.08 83.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.901 -1.124 . . . . 0.0 108.779 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 19' ' ' ILE . 61.9 tp -61.05 -34.21 74.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -61.56 -42.45 98.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.396 -0.815 . . . . 0.0 109.399 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -69.84 -40.67 75.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.278 -0.889 . . . . 0.0 109.695 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -67.73 -35.1 78.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.195 -0.941 . . . . 0.0 109.242 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -43.77 89.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 108.76 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.7 t -60.14 -41.14 92.09 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.92 -37.7 79.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.367 -0.833 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -65.97 -47.17 75.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.25 -0.907 . . . . 0.0 108.968 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -57.84 -43.21 85.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 108.979 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.23 -33.73 71.35 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 108.798 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.26 -53.7 27.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.402 -0.811 . . . . 0.0 109.673 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.7 mp -52.39 -35.85 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.75 -1.219 . . . . 0.0 108.561 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.76 -43.74 92.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.433 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.06 -39.16 92.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.932 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -45.19 76.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 108.659 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -56.86 -47.68 79.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 108.911 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -61.72 -41.88 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.55 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -63.14 -41.85 99.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.568 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.58 -36.93 85.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.56 -50.77 70.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.253 -0.904 . . . . 0.0 109.436 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.69 -41.42 88.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' B' ' 44' ' ' GLN . 17.3 t -51.01 -42.16 60.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 109.899 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' B' ' 43' ' ' CYS . 21.9 pt20 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.695 -0.628 . . . . 0.0 110.456 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -57.1 -50.78 71.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.134 -0.979 . . . . 0.0 109.678 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -37.41 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.9 -36.47 79.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.242 -0.911 . . . . 0.0 109.338 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 mtt -72.93 -50.29 24.4 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.848 -1.157 . . . . 0.0 109.689 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.5 -49.93 66.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.141 -0.974 . . . . 0.0 110.23 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -62.4 -38.31 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.725 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' ' HZ3' ' A' ' 20' ' ' LYS . 45.8 tt0 -60.81 -36.07 78.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.208 -0.932 . . . . 0.0 108.941 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.49 -37.51 87.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.346 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -62.83 -44.38 96.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 109.635 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 18.9 mm -66.83 -68.36 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.092 -1.005 . . . . 0.0 109.719 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HZ3' ' CG ' ' A' ' 16' ' ' GLU . 44.6 mttp -40.97 -44.62 2.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.637 -0.664 . . . . 0.0 109.776 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.35 -44.95 96.31 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -60.64 -36.7 79.31 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.82 -42.74 98.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 109.349 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.0 -41.4 95.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -68.52 -35.18 77.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.965 . . . . 0.0 109.28 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.56 -42.78 86.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.347 -0.846 . . . . 0.0 109.246 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 m -63.2 -38.68 92.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.952 . . . . 0.0 108.955 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -62.51 -40.42 96.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.398 -0.814 . . . . 0.0 109.125 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.51 -41.6 98.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.831 . . . . 0.0 109.359 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.07 -44.35 87.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.153 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.65 -38.59 89.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.875 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.7 -49.14 69.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.315 -0.866 . . . . 0.0 109.013 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -56.08 -34.58 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.858 -1.151 . . . . 0.0 108.944 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.96 -44.75 88.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.62 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -66.47 -37.2 84.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.184 -0.947 . . . . 0.0 109.27 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -46.79 72.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -61.38 -42.33 98.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.196 -0.94 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HE ' ' HZ3' ' A' ' 42' ' ' LYS . 74.4 ttt180 -61.69 -42.87 99.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.1 -40.82 97.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 0.0 109.402 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.15 -37.57 87.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -60.57 -49.98 75.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HZ3' ' HE ' ' A' ' 38' ' ' ARG . 61.2 mttp -63.29 -45.69 90.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 0.0 109.121 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.8 m -48.64 -50.15 34.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.562 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.636 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -58.69 -48.12 82.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.724 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -39.65 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.629 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.26 -44.27 97.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.951 . . . . 0.0 108.96 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 72.5 mtp -63.27 -52.59 61.43 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.84 -37.88 45.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.425 -0.797 . . . . 0.0 108.85 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -64.97 -42.5 94.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 0.0 109.071 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.21 -40.62 90.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.364 -0.835 . . . . 0.0 109.306 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.91 -41.63 92.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.823 . . . . 0.0 109.192 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.93 -42.15 97.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.372 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 22' ' ' LEU . 96.6 mt -64.6 -70.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.697 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 17.8 tptp -39.05 -39.77 0.6 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.781 -0.575 . . . . 0.0 109.891 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.93 -44.8 84.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 108.986 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 19' ' ' ILE . 47.0 tp -62.5 -38.59 90.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.415 -0.803 . . . . 0.0 109.404 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -39.47 94.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.201 -0.937 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.99 -42.56 84.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.407 -0.808 . . . . 0.0 109.723 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -67.39 -36.26 80.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.154 -0.966 . . . . 0.0 109.25 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.92 -39.4 94.09 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.328 -0.858 . . . . 0.0 109.087 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.44 ' HG ' ' N ' ' B' ' 28' ' ' GLU . 15.2 p -64.11 -41.03 97.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.277 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' B' ' 27' ' ' SER . 39.0 tp10 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.401 -0.812 . . . . 0.0 109.746 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.51 -40.54 97.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.987 -1.071 . . . . 0.0 108.781 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -55.85 -43.66 77.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.34 -0.85 . . . . 0.0 108.943 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.05 -34.67 78.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.889 . . . . 0.0 109.177 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.85 -53.19 28.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.365 -0.834 . . . . 0.0 109.524 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mm -54.33 -36.79 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.817 -1.177 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.33 -47.26 80.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 109.51 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -65.66 -37.89 87.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.55 -46.6 75.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 108.901 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -59.81 -41.7 91.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.207 -0.933 . . . . 0.0 108.785 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -62.48 -36.45 82.53 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.567 -0.708 . . . . 0.0 109.242 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -64.63 -50.38 67.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.531 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.85 -34.14 76.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.158 -0.964 . . . . 0.0 109.711 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -60.9 -53.53 56.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.965 -1.084 . . . . 0.0 109.554 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.02 -39.56 83.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.442 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.71 -45.23 39.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.0 109.403 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 0.0 108.825 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -63.3 -45.83 89.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 mm -69.7 -42.99 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.786 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.546 ' CD1' ' HZ1' ' B' ' 15' ' ' LYS . 49.6 tp -62.82 -41.33 99.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 108.969 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 mmt -67.81 -56.41 9.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 108.918 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.06 -36.32 18.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HZ1' ' CD1' ' B' ' 19' ' ' ILE . 54.8 tttm -65.65 -39.36 91.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.26 -37.84 88.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.39 -0.819 . . . . 0.0 109.012 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -63.01 -37.96 89.28 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.34 -0.85 . . . . 0.0 108.835 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -63.19 -42.29 99.32 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.362 -0.836 . . . . 0.0 109.023 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 85.9 mt -63.7 -73.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 109.762 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.7 ttpt -40.23 -42.39 1.49 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.595 -0.69 . . . . 0.0 110.001 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.52 -45.41 93.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.934 . . . . 0.0 108.806 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -62.22 -36.68 82.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.505 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.79 -40.06 87.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.946 . . . . 0.0 109.602 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -67.33 -39.59 85.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -45.26 94.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.239 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -62.68 -38.84 91.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.47 -40.46 95.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -62.37 -42.61 99.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.54 -41.94 91.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.31 -36.89 83.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 109.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.34 -53.26 20.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.0 109.702 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.69 -34.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.843 -1.161 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.03 -42.94 88.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.43 -37.55 85.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -42.89 87.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.09 -43.31 95.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 109.752 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -63.51 -40.74 97.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.513 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.05 -41.09 97.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.54 -37.87 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.877 . . . . 0.0 109.341 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.2 -48.33 82.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 109.321 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -63.19 -44.12 96.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.1 m -48.69 -50.26 34.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.297 -0.877 . . . . 0.0 109.412 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.081 0.467 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.22 -50.89 63.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.477 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.26 -42.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.872 . . . . 0.0 109.723 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.59 -43.47 76.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 108.614 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mmt -62.51 -50.43 71.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.345 -0.847 . . . . 0.0 108.863 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.81 -40.6 60.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HZ1' ' CD1' ' A' ' 12' ' ' LEU . 34.8 ttpt -65.91 -43.87 86.89 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 109.972 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -65.54 -40.54 93.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.044 -1.035 . . . . 0.0 110.126 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.74 -38.49 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.983 -1.073 . . . . 0.0 109.497 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.2 -45.94 91.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.896 . . . . 0.0 109.177 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.583 ' CD1' ' HZ1' ' A' ' 15' ' ' LYS . 66.5 mt -67.08 -63.85 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.41 -0.806 . . . . 0.0 109.847 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tttp -39.17 -43.89 1.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.364 0.602 . . . . 0.0 109.883 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.61 -46.23 89.23 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' ILE . 59.3 tp -58.7 -36.86 74.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.462 -0.774 . . . . 0.0 109.192 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.36 -43.35 99.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.42 -41.86 88.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.26 -0.9 . . . . 0.0 109.757 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -68.1 -35.65 78.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.175 -0.953 . . . . 0.0 109.423 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -44.36 96.89 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.171 -0.956 . . . . 0.0 108.723 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -61.47 -41.57 97.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.069 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.16 -40.5 94.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -61.25 -48.3 82.07 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.294 -0.879 . . . . 0.0 109.071 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -57.94 -39.17 77.4 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.523 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.21 -38.78 80.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -67.51 -50.49 58.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 109.614 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.73 -38.07 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.554 -1.341 . . . . 0.0 109.067 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.13 -46.15 74.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.741 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.7 -39.7 94.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 0.0 109.582 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.6 -42.62 82.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.88 . . . . 0.0 109.056 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -61.67 -42.89 99.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.193 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -62.47 -40.23 95.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.311 -0.868 . . . . 0.0 108.94 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -65.7 -41.82 91.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.19 -36.62 83.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 0.0 109.177 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -62.52 -47.15 85.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.102 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.75 -45.68 92.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.896 . . . . 0.0 109.22 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 80.6 m -49.9 -49.97 47.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.27 -0.894 . . . . 0.0 109.201 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.432 -0.792 . . . . 0.0 109.385 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.29 0.567 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.88 -48.31 81.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.11 -40.3 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.949 . . . . 0.0 109.877 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.29 -46.78 88.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.122 -0.986 . . . . 0.0 108.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.23 -56.03 26.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.08 -1.013 . . . . 0.0 109.396 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -50.96 -37.67 45.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 108.999 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HZ2' ' CD1' ' B' ' 19' ' ' ILE . 20.6 tptp -62.31 -42.15 99.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.825 . . . . 0.0 108.98 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.08 -37.18 85.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -0.857 . . . . 0.0 109.086 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -63.58 -38.26 90.47 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.845 . . . . 0.0 109.035 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -63.85 -43.87 94.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.373 -0.83 . . . . 0.0 109.11 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LEU . 98.3 mt -62.88 -71.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.264 -0.898 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 49.5 tttp -40.26 -40.93 1.23 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.728 -0.607 . . . . 0.0 109.914 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.21 -46.72 87.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 0.0 108.729 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 40.9 tp -60.08 -35.14 74.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.415 -0.803 . . . . 0.0 109.129 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.59 -40.89 98.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.85 -45.07 83.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 109.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -68.13 -36.77 80.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -0.968 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.02 -40.92 95.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.31 -0.869 . . . . 0.0 109.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 m -64.49 -38.35 90.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.417 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.69 -42.17 95.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -62.32 -43.05 99.72 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.225 -0.922 . . . . 0.0 108.994 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.81 -40.34 83.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.318 -0.864 . . . . 0.0 109.138 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.073 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -70.5 -57.24 4.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.9 mm -54.81 -32.3 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.75 -1.219 . . . . 0.0 109.14 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -67.92 -41.86 81.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -0.849 . . . . 0.0 109.607 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -66.7 -38.27 86.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 109.69 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.07 -41.56 86.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.929 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -63.1 -41.96 99.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -63.57 -39.61 94.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.592 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.47 -32.5 74.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.579 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -63.45 -50.24 70.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.207 -0.933 . . . . 0.0 109.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.51 -44.83 95.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 0.0 109.214 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -49.74 -49.69 47.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.489 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.246 0.546 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -58.82 -45.65 89.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 0.0 109.739 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.415 HG23 HD11 ' B' ' 11' ' ' ILE . 18.4 mm -68.43 -40.24 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.263 -0.898 . . . . 0.0 109.643 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.54 -44.0 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.189 -0.944 . . . . 0.0 108.83 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mmm -62.54 -53.1 59.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.116 -0.99 . . . . 0.0 109.271 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -50.49 -41.32 53.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.233 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.3 -40.75 96.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -65.29 -37.73 88.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.53 -40.25 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.242 -0.911 . . . . 0.0 109.598 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -63.34 -43.3 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.473 ' CD1' ' HZ2' ' A' ' 15' ' ' LYS . 96.7 mt -64.67 -69.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 0.0 109.773 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.9 ttmt -39.96 -43.55 1.55 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.665 -0.647 . . . . 0.0 110.013 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.09 -46.51 90.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -36.55 74.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.858 . . . . 0.0 108.831 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -62.29 -42.2 99.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.31 -43.84 89.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.262 -0.899 . . . . 0.0 109.834 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.12 -35.65 81.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 109.068 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 tp -65.31 -41.12 94.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.166 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -62.08 -41.09 97.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.208 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.0 -40.83 91.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.36 -0.837 . . . . 0.0 109.46 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.41 -44.43 96.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.258 -0.901 . . . . 0.0 108.924 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.68 -39.71 81.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.402 -0.811 . . . . 0.0 109.186 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 0.0 109.17 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.19 -53.58 23.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.679 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mm -56.17 -35.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.807 -1.183 . . . . 0.0 109.563 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -65.59 -44.42 86.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 0.0 109.689 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.51 -37.51 86.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.26 -0.9 . . . . 0.0 109.669 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.44 -42.58 87.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.202 -0.936 . . . . 0.0 109.094 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -59.09 -43.8 91.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.305 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.49 -35.98 82.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.249 -0.907 . . . . 0.0 108.732 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.32 -51.57 67.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.96 -32.04 73.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 109.177 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.67 -47.33 82.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 108.985 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.85 -44.01 82.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.193 -0.942 . . . . 0.0 109.429 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.3 m -50.2 -53.35 28.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 N--CA 1.496 1.834 0 O-C-N 121.355 -0.841 . . . . 0.0 109.526 -179.529 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.84 -46.29 84.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.11 -41.35 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.976 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -43.6 98.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.114 -0.991 . . . . 0.0 108.85 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -63.88 -54.09 40.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.105 -0.997 . . . . 0.0 108.92 179.575 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -50.2 -38.02 37.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.162 -0.961 . . . . 0.0 108.855 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.11 -41.34 97.29 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 108.983 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.56 -39.9 92.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.67 -37.8 88.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.306 -0.871 . . . . 0.0 109.261 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -61.34 -48.28 82.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 108.954 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 74.3 mt -63.97 -66.02 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.201 -0.937 . . . . 0.0 110.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.2 ttpp -39.07 -42.87 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.722 -0.611 . . . . 0.0 110.156 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.78 -46.92 83.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -0.982 . . . . 0.0 109.028 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.85 -35.86 79.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.374 -0.829 . . . . 0.0 109.167 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.64 -39.48 93.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -66.13 -42.9 88.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.842 . . . . 0.0 109.69 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -67.1 -34.68 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 109.44 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -43.21 97.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 108.779 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -62.31 -40.91 97.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -37.89 88.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 0.0 109.594 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.21 -44.39 95.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -58.68 -43.74 90.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.204 -0.935 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -58.87 -36.47 74.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.869 . . . . 0.0 109.052 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.47 -54.85 12.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.57 -34.65 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.88 -1.138 . . . . 0.0 108.906 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -66.28 -46.92 75.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.359 -0.838 . . . . 0.0 109.59 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.76 -38.45 86.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.4 -39.1 88.81 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.272 -0.892 . . . . 0.0 108.735 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.31 -44.65 92.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.479 -0.763 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -64.13 -36.25 83.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 22.9 ttpp -63.5 -46.28 86.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.01 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.99 -34.85 79.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.985 -1.072 . . . . 0.0 109.592 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.46 -49.31 78.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -65.28 -44.38 88.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.602 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 39' ' ' LYS . 72.1 m -48.11 -47.67 34.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 0.0 109.561 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 109.756 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.45 -46.39 88.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.343 -0.848 . . . . 0.0 109.67 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.53 -40.17 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.82 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.16 -43.31 99.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 109.129 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.96 -54.13 46.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.141 -0.975 . . . . 0.0 109.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -39.59 32.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 109.004 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.07 -44.32 96.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 20' ' ' LYS . 84.5 tt0 -62.35 -38.53 89.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.77 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -65.14 -36.29 83.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -63.2 -46.51 86.72 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.353 -0.842 . . . . 0.0 109.77 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' B' ' 22' ' ' LEU . 29.9 mm -66.99 -67.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 109.934 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 16' ' ' GLU . 93.7 mttt -39.57 -40.47 0.88 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.616 -0.677 . . . . 0.0 110.031 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.41 -46.88 84.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 0.0 108.668 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' ILE . 53.7 tp -63.38 -35.03 79.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.358 -0.838 . . . . 0.0 109.119 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -61.3 -40.45 94.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 0.0 109.148 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.95 -40.3 87.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.341 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -67.09 -38.54 85.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -41.67 98.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 108.92 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -63.13 -41.51 99.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 109.461 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -63.04 -39.67 95.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.327 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -64.81 -41.69 95.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.326 -0.859 . . . . 0.0 109.114 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.11 -47.36 75.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 108.86 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -32.3 73.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.34 -0.85 . . . . 0.0 108.931 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -68.95 -53.04 23.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.726 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.78 -35.5 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.909 -1.12 . . . . 0.0 109.652 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.02 -43.17 79.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.048 . . . . 0.0 109.724 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.29 -40.24 93.41 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.185 -0.947 . . . . 0.0 109.171 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 tp -67.1 -43.56 82.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 109.222 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -63.52 -44.33 94.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.164 -0.96 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.84 -41.01 94.97 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -58.98 -42.95 91.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 108.99 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -38.97 93.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 0.0 108.98 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -58.86 -50.48 73.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -0.917 . . . . 0.0 108.722 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -64.36 -46.79 81.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.49 -0.756 . . . . 0.0 109.657 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' B' ' 44' ' ' GLN . 12.7 t -51.31 -52.2 47.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.086 -1.008 . . . . 0.0 108.95 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' B' ' 43' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.495 -0.753 . . . . 0.0 109.514 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -60.46 -44.89 95.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.4 -42.49 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 109.945 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.03 -47.34 86.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 108.562 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.65 -52.88 58.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.064 -1.023 . . . . 0.0 108.999 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.26 -36.21 40.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 108.906 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.72 -41.57 99.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 108.881 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.05 -40.43 97.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.322 -0.861 . . . . 0.0 109.378 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.38 -37.87 80.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.303 -0.873 . . . . 0.0 109.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -42.96 99.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.092 -1.005 . . . . 0.0 109.168 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 85.5 mt -65.64 -69.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.418 -0.802 . . . . 0.0 109.986 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 54.9 mtpt -40.89 -46.88 2.86 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.614 -0.679 . . . . 0.0 110.26 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.18 -44.8 95.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.999 -1.063 . . . . 0.0 109.031 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.13 -35.7 71.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -62.98 -40.86 99.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.0 109.315 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -65.05 -42.89 93.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 0.0 109.714 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -68.02 -38.23 82.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.36 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 108.951 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.3 p -64.08 -37.93 89.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 109.326 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -65.92 -40.7 91.7 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -63.98 -43.8 94.64 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.319 -0.863 . . . . 0.0 109.076 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -57.84 -42.75 85.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.169 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.23 -35.88 80.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.314 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -67.29 -52.21 43.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.271 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.52 -36.28 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.865 -1.147 . . . . 0.0 109.109 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -69.16 -43.24 74.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 109.89 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.27 -42.79 96.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.753 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.61 -42.03 92.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 108.509 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.58 -41.33 94.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.331 -0.856 . . . . 0.0 109.281 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -39.63 91.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.34 -50.44 73.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.264 -0.898 . . . . 0.0 109.473 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mm? -67.05 -33.46 75.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.324 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.81 -48.83 78.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -64.5 -43.91 92.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.466 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.1 m -48.78 -50.17 35.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.27 -0.894 . . . . 0.0 109.548 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.153 0.501 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -49.76 -58.36 5.5 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.927 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.38 -37.29 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.388 -0.82 . . . . 0.0 110.426 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.73 -43.84 94.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.106 -0.996 . . . . 0.0 110.051 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 82.6 mmm -68.32 -51.38 45.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.928 -1.107 . . . . 0.0 109.292 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.523 ' O ' HD23 ' B' ' 14' ' ' LEU . 1.2 tt -48.51 -45.24 36.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.194 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -62.73 -40.06 96.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 0.0 109.407 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.39 -37.73 87.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.342 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.14 -36.46 79.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.377 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -63.41 -43.08 98.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.124 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' B' ' 20' ' ' LYS . 84.3 mt -66.94 -68.02 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.305 -0.872 . . . . 0.0 109.325 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 19' ' ' ILE . 50.2 tttp -40.68 -45.03 2.29 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.706 -0.621 . . . . 0.0 109.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -59.36 -46.51 88.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 108.782 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -61.07 -37.06 81.31 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.08 -40.48 85.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.163 -0.961 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -66.76 -45.25 79.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.726 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -65.71 -36.42 83.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.062 -1.024 . . . . 0.0 109.392 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.62 -42.03 99.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.245 -0.91 . . . . 0.0 109.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.3 p -65.54 -38.51 89.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.163 -0.96 . . . . 0.0 109.586 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 109.822 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.68 95.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.558 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -55.96 -49.05 74.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 109.182 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.64 -36.44 78.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.286 -0.884 . . . . 0.0 109.826 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.72 -49.84 60.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.618 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.77 -33.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.766 -1.209 . . . . 0.0 108.944 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.9 -42.92 84.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.852 . . . . 0.0 109.504 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -64.55 -38.23 90.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.885 . . . . 0.0 109.734 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.96 -42.37 90.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -63.01 -42.13 99.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.313 -0.867 . . . . 0.0 109.448 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.41 ' HE ' ' NZ ' ' B' ' 42' ' ' LYS . 79.3 ttt180 -61.01 -41.78 97.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 109.7 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.68 -44.82 96.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.0 109.579 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.673 ' O ' HD23 ' B' ' 40' ' ' LEU . 2.9 tt -61.23 -38.36 86.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.03 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -50.13 74.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 0.0 110.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.41 ' NZ ' ' HE ' ' B' ' 38' ' ' ARG . 30.0 mmtm -68.29 -47.26 68.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.123 -0.986 . . . . 0.0 110.239 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 7.3 p -47.79 -43.87 28.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.031 -1.043 . . . . 0.0 109.623 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.574 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 15.3 tm0? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -58.43 -45.97 87.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.392 -0.818 . . . . 0.0 109.569 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.15 -45.94 78.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.314 -0.866 . . . . 0.0 110.194 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.49 -40.97 75.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.948 -1.095 . . . . 0.0 108.775 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.3 mtp -59.05 -50.19 75.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 0.0 108.534 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -55.29 -40.54 71.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 109.76 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -63.45 -42.76 98.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.085 -1.009 . . . . 0.0 109.632 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -64.28 -39.31 93.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.24 -37.23 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 108.87 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -62.09 -49.41 76.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.767 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . 89.5 mt -63.36 -67.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.6 tttm -39.02 -41.44 0.78 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.251 0.548 . . . . 0.0 109.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 25' ' ' ARG . 69.2 tt0 -63.17 -49.58 73.74 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' ILE . 60.7 tp -58.99 -35.48 73.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.801 . . . . 0.0 108.912 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.93 -39.56 93.69 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.404 -0.81 . . . . 0.0 109.762 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -64.54 -45.46 87.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 109.553 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 21' ' ' GLU . 96.3 mtt180 -67.62 -35.07 78.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.478 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.52 -40.91 85.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.872 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.3 t -61.69 -42.24 98.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.94 -38.4 90.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.0 109.403 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -65.25 -44.92 86.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.062 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.16 -45.13 71.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.306 -0.871 . . . . 0.0 109.232 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.42 -31.21 72.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.117 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -69.16 -58.12 4.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' B' ' 33' ' ' ILE . 22.7 mm -55.99 -31.44 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.79 -1.194 . . . . 0.0 109.085 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.83 -42.57 94.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.31 -0.869 . . . . 0.0 109.249 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.49 -37.13 84.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.567 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.31 -45.18 81.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.323 -0.86 . . . . 0.0 108.955 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.8 -43.26 90.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.939 . . . . 0.0 109.396 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -63.07 -38.46 91.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 109.47 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.59 -47.39 85.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 109.751 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.83 -34.01 77.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.155 -0.965 . . . . 0.0 109.77 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.51 -48.54 80.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.154 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.19 -44.57 91.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.322 -0.861 . . . . 0.0 109.533 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.0 t -49.41 -49.73 43.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.704 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.371 0.605 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.54 -42.62 99.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 0.0 109.763 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.55 -43.2 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.516 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.511 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -59.51 -41.97 91.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 108.643 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -59.52 -50.8 72.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.075 -1.016 . . . . 0.0 109.23 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.544 ' O ' HD23 ' B' ' 14' ' ' LEU . 1.2 tt -50.15 -43.18 51.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.415 -0.803 . . . . 0.0 109.248 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -60.47 -46.14 91.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -63.48 -40.0 95.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.16 -0.962 . . . . 0.0 109.182 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -62.66 -40.63 97.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.829 . . . . 0.0 109.604 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.97 -42.89 99.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' B' ' 20' ' ' LYS . 76.6 mt -64.72 -68.16 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 0.0 109.966 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 19' ' ' ILE . 65.2 tttm -40.31 -46.22 2.28 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.748 -0.595 . . . . 0.0 110.143 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -60.09 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 0.0 108.856 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -60.61 -36.62 79.02 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -59.22 -42.09 90.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -68.01 -40.9 82.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.131 -0.98 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -67.08 -37.98 84.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.59 -39.14 84.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -0.83 . . . . 0.0 109.175 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 99.1 p -64.01 -39.82 94.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.141 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.08 -38.14 87.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -64.38 -46.2 84.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.221 -0.925 . . . . 0.0 108.936 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -54.6 -41.69 70.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 0.0 108.971 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.37 -33.44 75.97 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.307 -0.87 . . . . 0.0 109.453 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -71.42 -53.67 13.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.185 -0.947 . . . . 0.0 109.672 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' A' ' 33' ' ' ILE . 26.0 mm -55.11 -32.71 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.71 -1.244 . . . . 0.0 108.756 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -67.77 -41.95 82.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -65.1 -38.56 91.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.211 -0.931 . . . . 0.0 109.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -41.84 88.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.861 . . . . 0.0 108.724 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.04 -45.33 87.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -64.45 -40.93 96.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.0 109.415 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -61.46 -41.6 97.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -68.09 -38.24 82.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.22 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.11 -47.62 82.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -64.43 -43.17 95.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -48.13 -50.9 27.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.308 -0.87 . . . . 0.0 109.569 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.352 -0.843 . . . . 0.0 109.168 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.314 0.578 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -62.31 -45.42 93.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.252 -0.905 . . . . 0.0 109.867 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.43 -41.89 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.102 -0.999 . . . . 0.0 109.298 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.0 -40.4 97.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.296 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 68.8 mtp -64.75 -55.47 19.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -49.92 -37.15 30.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 108.763 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.45 -38.8 90.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -66.3 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.487 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -63.92 -38.56 91.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.0 109.484 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.16 -42.26 93.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.303 -0.873 . . . . 0.0 109.593 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' LYS . 91.3 mt -63.58 -68.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' ILE . 9.8 mtmp? -41.51 -42.28 2.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 47.9 tp10 -61.68 -46.84 88.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.05 -37.07 73.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.096 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.42 -42.41 95.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 109.106 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 21' ' ' GLU . 8.1 ttpm? -64.96 -43.93 91.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.382 -0.823 . . . . 0.0 109.485 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.53 -40.18 96.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.416 -0.802 . . . . 0.0 109.531 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.43 -35.46 73.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.123 -0.985 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -61.34 -44.32 97.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.107 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.36 -34.59 72.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.003 -1.061 . . . . 0.0 109.55 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.16 -45.63 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.161 -0.962 . . . . 0.0 108.769 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.89 -41.05 97.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 109.32 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.16 -35.63 71.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 109.242 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.26 -49.8 58.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 109.477 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.72 -36.67 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.792 -1.193 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.49 -45.47 83.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.45 -38.0 86.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.444 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.6 tt -65.07 -44.59 88.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 0.0 108.834 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -59.02 -43.22 91.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.943 . . . . 0.0 109.357 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' NE ' ' HZ1' ' A' ' 42' ' ' LYS . 45.5 ttt85 -62.73 -42.49 99.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 0.0 109.186 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.71 -44.62 95.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.0 -35.82 81.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.287 -0.883 . . . . 0.0 109.317 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -61.68 -48.17 82.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.889 . . . . 0.0 109.168 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HZ1' ' NE ' ' A' ' 38' ' ' ARG . 62.5 mttp -63.56 -43.92 95.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.232 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.71 -51.13 30.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.317 -0.864 . . . . 0.0 109.313 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -55.14 37.8 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.83 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 67.2 mt -60.41 -46.09 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 110.387 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.67 -42.9 75.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.951 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 28.4 mtt -66.41 -51.5 56.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.995 -1.066 . . . . 0.0 109.449 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.49 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -47.21 -39.93 15.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.914 . . . . 0.0 108.833 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.83 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 65.0 mmtt -67.74 -41.25 83.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.228 -0.92 . . . . 0.0 108.755 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -43.37 98.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.387 -0.82 . . . . 0.0 110.228 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.24 -35.56 79.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.063 -1.023 . . . . 0.0 109.898 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.98 -43.4 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.074 -1.016 . . . . 0.0 109.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' B' ' 20' ' ' LYS . 38.2 mm -66.86 -64.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 110.016 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' B' ' 19' ' ' ILE . 79.0 tttt -39.65 -43.17 1.31 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.536 -0.727 . . . . 0.0 110.097 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.62 -48.21 81.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.094 -1.004 . . . . 0.0 108.922 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.13 -33.54 74.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.85 -42.55 99.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.19 -40.77 94.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.95 -35.75 78.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.165 -0.959 . . . . 0.0 108.905 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.512 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.3 OUTLIER -59.89 -47.34 86.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -0.813 . . . . 0.0 108.971 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.0 p -62.37 -39.78 94.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.143 -0.973 . . . . 0.0 109.421 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.48 -39.07 88.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 109.412 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -62.47 -45.25 93.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -0.841 . . . . 0.0 108.976 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -59.59 -38.47 81.3 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.418 -0.801 . . . . 0.0 109.047 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.12 -39.22 89.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.421 -0.799 . . . . 0.0 109.243 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.91 -51.51 47.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.56 -37.88 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.852 -1.155 . . . . 0.0 109.11 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -66.79 -45.33 78.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 0.0 109.485 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.26 -40.3 97.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 0.0 109.26 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.74 -41.97 82.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.278 -0.889 . . . . 0.0 108.689 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -61.33 -44.8 96.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -0.839 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -64.09 -41.32 97.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.025 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -64.04 -40.3 96.0 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.4 -0.812 . . . . 0.0 109.174 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -62.97 -36.78 84.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 0.0 108.937 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -62.68 -50.65 70.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 109.15 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.62 -44.52 93.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.2 t -48.25 -45.26 34.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.301 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.277 -0.889 . . . . 0.0 108.988 179.627 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.134 0.492 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.57 -50.33 74.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.135 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.65 -38.96 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 0.0 109.374 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.92 -37.63 80.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.602 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.44 -54.97 11.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.53 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -48.24 -39.59 21.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.26 -0.9 . . . . 0.0 109.215 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -65.64 -43.78 88.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.338 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.5 -40.66 96.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.39 90.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.33 -42.61 96.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.027 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LEU . 96.7 mt -63.84 -67.25 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.377 -0.827 . . . . 0.0 109.72 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' ILE . 6.9 ttpm? -36.16 -44.88 0.41 Allowed 'General case' 0 N--CA 1.504 2.242 0 CA-C-O 121.125 0.488 . . . . 0.0 110.504 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -65.79 -44.28 86.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -0.921 . . . . 0.0 109.418 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.74 -37.88 85.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 108.945 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.78 -42.64 94.91 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.169 -0.957 . . . . 0.0 109.321 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.91 -42.63 89.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.245 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -65.45 -35.63 81.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.876 . . . . 0.0 109.113 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.6 -40.6 84.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.371 -0.83 . . . . 0.0 109.405 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 m -63.3 -43.09 98.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 0.0 109.169 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.41 -36.88 83.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.359 -0.838 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -63.5 -44.73 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.285 -0.884 . . . . 0.0 109.162 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.45 -40.03 89.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.49 -38.12 88.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.526 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -66.96 -48.63 67.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.1 mt -54.92 -33.89 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 120.865 -1.147 . . . . 0.0 108.942 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -68.82 -44.05 74.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 109.758 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -43.02 97.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.517 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.0 -42.04 81.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 109.272 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -61.74 -41.97 98.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.804 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.93 -36.72 84.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.905 . . . . 0.0 109.615 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.18 -50.57 73.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.52 -31.61 71.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 109.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.95 -49.55 75.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 109.225 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -63.75 -44.08 94.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.0 109.378 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -49.23 -45.55 44.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.681 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.21 -53.46 56.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.059 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.3 -41.63 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.025 . . . . 0.0 109.785 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 tp -55.73 -39.33 70.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.1 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.8 mmm -66.69 -49.07 67.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.146 -0.971 . . . . 0.0 109.148 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -52.21 -43.24 64.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -63.47 -44.51 94.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.112 -0.993 . . . . 0.0 109.855 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.72 -39.38 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.29 -39.68 94.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.57 -0.706 . . . . 0.0 109.535 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -62.06 -42.74 99.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.453 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 81.7 mt -66.05 -68.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.954 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 12.5 ttmm -40.58 -47.31 2.69 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.9 -44.3 94.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.211 -0.931 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 19' ' ' ILE . 15.2 tp -59.86 -35.65 75.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.184 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.63 -42.17 99.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.216 -0.927 . . . . 0.0 109.269 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -64.48 -42.56 95.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 109.074 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -65.47 -39.63 92.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.473 -0.767 . . . . 0.0 109.579 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.0 -37.53 84.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.2 -0.937 . . . . 0.0 109.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.9 t -63.02 -43.78 97.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 109.846 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.28 -39.8 89.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -64.06 -45.19 89.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.243 -0.911 . . . . 0.0 108.852 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.99 -39.22 84.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.436 -0.79 . . . . 0.0 109.048 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -36.94 79.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 0.0 109.2 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.57 -51.95 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.9 mt -52.76 -36.0 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.738 -1.226 . . . . 0.0 109.48 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.73 -43.96 78.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.0 109.637 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.76 -39.06 93.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.37 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.99 -44.47 80.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -59.58 -41.43 90.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.258 -0.901 . . . . 0.0 109.571 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -62.83 -42.0 99.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.986 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -59.89 -46.47 89.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.034 -1.041 . . . . 0.0 110.094 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.68 -34.31 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.084 -1.01 . . . . 0.0 109.841 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -58.67 -48.04 82.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.374 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.13 -43.92 73.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 t -46.78 -42.91 17.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 109.741 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.807 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -61.34 -44.59 96.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.997 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -69.48 -42.81 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.942 . . . . 0.0 110.049 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.0 tt -59.79 -37.09 78.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.21 -52.93 56.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.362 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.99 -43.36 63.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.071 -1.018 . . . . 0.0 108.796 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -64.98 -44.69 88.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.211 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.47 -38.61 87.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.378 -0.826 . . . . 0.0 109.791 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.08 -33.51 70.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -61.51 -45.84 92.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.328 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.0 mm -67.11 -63.37 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ILE . 78.9 tttt -38.49 -43.83 0.88 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.714 -0.616 . . . . 0.0 110.011 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.72 -47.38 78.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.06 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -59.92 -38.48 82.48 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -59.22 -39.41 82.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.202 -0.936 . . . . 0.0 108.995 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.46 -42.74 87.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -0.848 . . . . 0.0 109.549 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -67.77 -38.72 83.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.384 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -56.74 -47.53 79.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 108.614 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -61.46 -39.54 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.093 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -61.78 -44.58 96.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.71 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.96 -43.3 99.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.874 . . . . 0.0 109.727 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -56.11 -44.15 78.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.08 -1.012 . . . . 0.0 109.12 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 109.057 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.47 -54.7 17.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.88 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -34.51 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.744 -1.223 . . . . 0.0 109.071 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -66.86 -45.85 76.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.355 -0.841 . . . . 0.0 109.681 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -63.42 -40.69 97.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.0 109.693 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.27 -42.54 93.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 109.476 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -61.07 -41.14 96.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.064 -1.023 . . . . 0.0 109.548 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.6 -40.16 96.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.88 . . . . 0.0 109.689 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -60.24 -51.53 69.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -67.77 -32.25 72.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.071 -1.018 . . . . 0.0 109.489 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.97 -49.54 77.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.64 -44.39 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 0.0 109.403 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -48.28 -50.34 30.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.199 -0.938 . . . . 0.0 109.525 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -60.03 -45.53 92.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.671 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -66.72 -41.98 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.728 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.4 tt -60.66 -38.18 84.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.108 -0.995 . . . . 0.0 108.716 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.3 mtt -62.88 -54.41 39.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.595 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.61 -42.23 55.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -63.75 -42.58 97.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.141 -0.975 . . . . 0.0 109.29 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -65.43 -40.75 93.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.0 109.607 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -64.43 -38.86 92.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.194 -0.941 . . . . 0.0 109.36 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.06 -41.85 99.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' B' ' 20' ' ' LYS . 88.8 mt -66.66 -69.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.615 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 59.1 tttm -39.02 -41.38 0.77 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.702 -0.623 . . . . 0.0 109.879 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' B' ' 25' ' ' ARG . 83.9 tt0 -66.17 -46.34 77.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.878 . . . . 0.0 109.038 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 45.0 tp -61.08 -36.51 79.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.411 -0.806 . . . . 0.0 108.971 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.43 -40.22 95.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.17 -41.2 94.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.355 -0.84 . . . . 0.0 109.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' B' ' 21' ' ' GLU . 97.6 mtt180 -69.24 -36.33 77.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.283 -0.885 . . . . 0.0 109.265 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.494 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -62.04 -45.87 91.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 108.63 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.0 m -61.63 -40.35 94.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.291 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -65.75 -38.85 90.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.362 -0.836 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -63.41 -43.26 98.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.446 -0.784 . . . . 0.0 109.264 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -59.82 -42.53 93.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 108.808 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.22 -54.28 18.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.325 -0.859 . . . . 0.0 109.147 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.0 -35.82 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.833 -1.167 . . . . 0.0 109.098 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.11 -44.25 80.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.501 -0.749 . . . . 0.0 109.601 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.03 -38.45 91.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -68.66 -44.7 73.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 108.888 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.62 -43.41 98.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -63.32 -35.69 81.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.75 -52.61 59.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 109.701 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.53 -32.66 74.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -58.05 -47.31 83.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.96 . . . . 0.0 108.882 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -69.67 -43.26 72.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.217 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -47.48 -45.4 26.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.127 -0.983 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.609 -0.682 . . . . 0.0 109.198 179.531 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.247 0.546 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -59.08 -45.66 90.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.27 -0.894 . . . . 0.0 109.828 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mm -65.88 -40.98 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 109.878 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.6 -45.08 95.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.58 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.23 -51.62 65.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.21 -0.931 . . . . 0.0 109.305 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -50.83 -39.99 54.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 108.836 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -65.04 -41.56 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.072 -1.018 . . . . 0.0 109.491 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -66.74 -39.99 88.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -61.5 -42.43 98.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.039 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.6 HD13 ' NZ ' ' B' ' 15' ' ' LYS . 90.5 mt -66.76 -66.74 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.849 . . . . 0.0 109.68 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ILE . 20.0 tptp -39.51 -42.57 1.15 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.721 -0.612 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.92 -46.24 88.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.0 108.994 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ILE . 61.9 tp -60.98 -32.71 72.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.893 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -63.8 -43.83 95.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.377 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.4 -40.39 93.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.357 -0.839 . . . . 0.0 109.318 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.98 -46.69 87.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.324 -0.86 . . . . 0.0 108.964 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 m -64.03 -37.71 88.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.28 -0.888 . . . . 0.0 109.127 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -58.99 -49.16 78.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.93 -40.86 95.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.15 -0.968 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.62 -42.11 91.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.445 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.56 -38.52 91.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.422 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -67.97 -48.82 64.78 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.898 . . . . 0.0 109.004 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.55 -34.27 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.888 -1.132 . . . . 0.0 109.037 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.55 -42.94 81.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.99 -38.88 89.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.08 -41.86 94.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 109.16 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -62.89 -40.58 97.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.318 -0.864 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -62.07 -41.59 98.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -61.87 -47.61 84.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.762 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.91 -34.17 76.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.21 -0.931 . . . . 0.0 109.485 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -62.25 -50.91 69.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 109.367 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.14 -43.36 92.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.939 . . . . 0.0 109.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 t -48.42 -47.04 38.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -0.913 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.307 -0.871 . . . . 0.0 109.392 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.88 -46.39 90.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.519 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.48 -42.54 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.208 -0.932 . . . . 0.0 110.006 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.21 -42.7 91.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 109.71 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -65.44 -54.45 28.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -48.98 -37.26 19.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.6 ' NZ ' HD13 ' A' ' 19' ' ' ILE . 14.6 tptm -66.62 -40.8 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.659 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.96 -43.21 91.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.095 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -62.8 -37.34 86.34 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -0.844 . . . . 0.0 109.58 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.07 -45.21 89.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.281 -0.887 . . . . 0.0 109.802 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 22' ' ' LEU . 32.4 mm -67.27 -67.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 19' ' ' ILE . 77.8 tttt -40.28 -42.51 1.54 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.635 -0.665 . . . . 0.0 109.727 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.8 -44.96 95.82 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.491 HD11 HH21 ' B' ' 25' ' ' ARG . 63.6 tp -63.43 -34.11 77.04 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.52 -0.738 . . . . 0.0 109.246 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.34 -43.52 98.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 109.606 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -66.96 -37.76 84.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.491 HH21 HD11 ' B' ' 22' ' ' LEU . 61.9 ttp85 -67.99 -39.18 83.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.31 -0.869 . . . . 0.0 108.933 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.54 -41.52 92.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.387 -0.82 . . . . 0.0 109.079 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.0 p -65.02 -37.89 89.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.251 -0.906 . . . . 0.0 108.924 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.65 -39.86 73.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.11 -45.93 83.14 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -58.05 -38.73 76.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 108.498 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.96 -36.32 79.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.014 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -68.3 -52.34 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.316 -0.865 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mm -52.24 -35.79 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.821 -1.174 . . . . 0.0 108.668 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.13 -44.52 83.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.384 -0.823 . . . . 0.0 109.295 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.347 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.39 -43.16 86.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.893 . . . . 0.0 108.824 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.73 -44.01 90.34 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.376 -0.827 . . . . 0.0 109.178 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -62.63 -39.55 94.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.392 -0.817 . . . . 0.0 109.326 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -59.84 -44.34 94.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.79 -35.04 79.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.217 -0.927 . . . . 0.0 109.785 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.82 -50.68 72.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.992 . . . . 0.0 109.063 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.05 -43.42 87.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.169 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.29 -49.61 42.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.24 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.23 -47.38 83.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.29 -0.881 . . . . 0.0 110.02 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.3 -40.49 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.179 -0.951 . . . . 0.0 110.011 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.25 -43.84 93.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 109.813 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -61.96 -56.5 18.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.112 -0.992 . . . . 0.0 109.545 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.16 -35.42 26.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 109.098 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -62.58 -45.38 93.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.257 -0.902 . . . . 0.0 109.284 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -59.51 -37.24 77.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.26 -38.54 91.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.335 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -62.59 -45.22 93.88 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LYS . 13.2 mm -63.22 -70.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.082 -1.011 . . . . 0.0 109.651 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ILE . 64.5 tttm -39.17 -41.14 0.81 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.791 -0.568 . . . . 0.0 110.194 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.8 -47.45 75.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.057 -1.027 . . . . 0.0 109.011 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -57.16 -36.78 71.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.15 -44.21 96.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.941 . . . . 0.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -65.61 -40.51 92.7 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -64.72 -36.38 84.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.362 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.1 tt -69.33 -39.68 78.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.076 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -60.01 -43.12 95.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.121 -0.987 . . . . 0.0 109.291 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.12 -40.92 97.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.192 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -47.42 86.35 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.357 -0.839 . . . . 0.0 109.089 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -55.55 -42.4 74.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.19 -37.04 79.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.379 -0.826 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.42 -57.35 6.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 0.0 109.738 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.96 -33.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.714 -1.241 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -64.63 -44.52 90.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.36 -0.838 . . . . 0.0 109.548 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.46 -38.76 92.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.401 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.22 -44.37 84.02 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.327 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -58.76 -46.71 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.54 -42.71 95.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -63.97 -37.19 86.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -67.17 -38.94 86.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -62.48 -50.78 70.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.227 -0.921 . . . . 0.0 109.692 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -62.13 -43.24 99.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.9 t -49.27 -47.89 46.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.139 -0.976 . . . . 0.0 109.219 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.333 -0.854 . . . . 0.0 109.176 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.38 -47.79 82.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 109.773 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.03 -44.46 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.65 -40.51 92.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.177 -0.952 . . . . 0.0 109.317 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 65.0 mmm -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.77 -41.42 56.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.12 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -61.49 -42.63 99.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.15 -37.85 86.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.08 -36.99 86.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.21 -0.932 . . . . 0.0 109.525 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -63.94 -46.64 83.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 2.6 mp -65.43 -65.42 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 108.75 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 20' ' ' LYS . 6.4 ttpm? -40.3 -41.94 1.44 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.745 -0.597 . . . . 0.0 109.807 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.19 -47.34 74.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.134 -0.979 . . . . 0.0 108.891 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.03 -33.52 69.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 108.634 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.42 -41.76 93.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -66.2 -44.96 82.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.2 -0.937 . . . . 0.0 109.719 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -66.76 -35.19 79.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.88 -38.33 82.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.243 -0.911 . . . . 0.0 109.265 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -64.63 -40.26 95.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 109.583 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.18 -38.03 87.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.465 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -64.06 -42.97 96.83 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.32 -0.863 . . . . 0.0 109.112 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.26 -43.53 92.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.48 -38.34 77.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.267 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.43 -53.01 26.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.53 -36.34 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.82 -1.175 . . . . 0.0 109.553 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.215 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.58 -35.96 78.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.9 . . . . 0.0 109.5 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.21 -46.41 80.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.326 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.39 -39.62 93.83 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.211 -0.931 . . . . 0.0 109.564 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -63.56 -40.43 96.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.626 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -61.58 -46.58 89.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.232 -0.918 . . . . 0.0 109.546 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.92 -35.55 80.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.103 -0.998 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.06 -51.52 69.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.132 -0.98 . . . . 0.0 109.176 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -67.06 -41.38 86.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 108.91 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 t -44.23 -42.85 6.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.609 -0.682 . . . . 0.0 109.937 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.145 -0.972 . . . . 0.0 109.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -62.06 -45.08 95.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.872 . . . . 0.0 109.861 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 -42.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.05 -38.3 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.134 -0.979 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -64.21 -56.29 15.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.2 tt -48.99 -40.23 29.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 0.0 108.867 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -63.0 -42.12 99.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.265 -0.897 . . . . 0.0 109.014 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.74 -38.9 92.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.66 -35.44 80.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 0.0 109.45 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -63.76 -46.42 85.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 30.9 mm -66.58 -65.61 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.0 109.606 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 50.9 tttp -39.16 -43.42 1.07 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.756 -0.59 . . . . 0.0 110.212 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.44 -47.46 83.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.048 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 HH21 ' A' ' 25' ' ' ARG . 28.4 tp -62.63 -36.14 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.286 -0.884 . . . . 0.0 109.194 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -60.47 -40.81 92.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.251 -0.906 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -66.69 -40.71 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.348 -0.845 . . . . 0.0 109.141 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.547 HH21 HD13 ' A' ' 22' ' ' LEU . 33.0 ttp180 -66.65 -36.58 82.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 0.0 109.06 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -60.34 -46.55 89.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.389 -0.82 . . . . 0.0 108.854 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.55 -40.33 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.136 -0.977 . . . . 0.0 109.256 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.39 -41.07 96.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.0 109.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -63.81 -49.8 71.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 109.231 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -52.44 -40.06 61.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.75 -37.23 86.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 109.443 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.05 -50.92 60.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 109.811 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.26 -37.73 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.72 -1.238 . . . . 0.0 109.198 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -64.27 -45.08 89.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.53 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.03 -37.54 86.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.732 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.11 -42.22 94.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 0.0 108.987 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -62.08 -44.18 97.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -62.18 -40.8 97.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.905 . . . . 0.0 109.552 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -63.97 -41.2 97.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.873 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.2 tt -64.71 -36.29 83.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.884 . . . . 0.0 108.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -62.63 -51.08 68.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.767 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -61.13 -46.73 89.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.4 m -48.82 -47.59 42.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.14 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 109.527 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.188 0.518 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' B' ' 10' ' ' LYS . 8.7 mtmp? -62.65 -47.23 84.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.855 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.12 -45.26 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.63 -42.58 99.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.019 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mmm -60.11 -54.95 39.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.161 -0.962 . . . . 0.0 109.096 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.61 -38.58 46.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.299 -0.876 . . . . 0.0 109.095 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -66.18 -41.52 90.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.187 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -62.99 -37.64 87.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -66.87 -34.85 78.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.268 -0.895 . . . . 0.0 109.118 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -62.1 -47.5 84.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.9 mm -67.36 -65.1 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.247 -0.908 . . . . 0.0 109.648 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.4 tttt -39.68 -46.29 1.82 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.752 -0.592 . . . . 0.0 110.082 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.66 -46.47 90.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.142 -0.973 . . . . 0.0 108.804 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.35 -35.19 75.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.389 -0.819 . . . . 0.0 108.913 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.02 -39.71 93.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.34 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.94 -44.15 85.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.0 109.569 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.71 -36.66 81.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 0.0 109.273 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.44 -44.29 97.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.302 -0.873 . . . . 0.0 109.146 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -63.67 -38.03 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.177 -0.952 . . . . 0.0 108.994 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.5 -44.32 93.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.345 -0.847 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.24 -44.18 97.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -52.11 -48.76 64.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.98 -34.02 75.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.259 -0.901 . . . . 0.0 109.439 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.53 -55.44 11.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -49.82 -36.97 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.807 -1.183 . . . . 0.0 109.28 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.26 -43.86 85.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.75 -40.55 95.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.162 -0.961 . . . . 0.0 110.179 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.565 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.3 OUTLIER -67.6 -43.96 79.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 0.0 109.044 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -56.31 -45.46 80.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.03 -1.044 . . . . 0.0 109.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -63.97 -41.47 97.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.855 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.69 -48.59 78.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.948 . . . . 0.0 109.615 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.48 -33.08 74.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.889 . . . . 0.0 109.089 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' B' ' 41' ' ' HIS . 2.8 t-80 -63.77 -51.97 62.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -59.36 -48.38 81.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.208 -0.933 . . . . 0.0 109.458 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -48.92 -47.86 43.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 0.0 109.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 108.975 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.179 0.514 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -59.46 -46.29 89.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.436 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 mm -67.98 -43.12 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 109.473 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 tt -58.24 -43.53 87.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.176 -0.952 . . . . 0.0 108.792 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.35 -54.45 46.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.643 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -50.55 -44.74 56.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.149 -0.97 . . . . 0.0 108.905 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.22 -41.63 93.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.126 -0.984 . . . . 0.0 109.096 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -64.27 -40.19 95.49 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.353 -0.842 . . . . 0.0 109.593 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.73 -39.36 93.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -60.96 -43.09 99.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.267 -0.896 . . . . 0.0 109.157 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 93.3 mt -64.19 -71.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.78 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ILE . 90.4 mttt -39.36 -39.47 0.66 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.782 -0.574 . . . . 0.0 110.383 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.49 -47.97 81.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.951 -1.093 . . . . 0.0 108.865 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.81 -36.07 81.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.918 . . . . 0.0 108.582 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -59.8 -42.09 92.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.551 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -66.21 -41.31 90.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -66.04 -38.07 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.332 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.719 HD11 ' HZ1' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -64.57 -42.87 95.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 109.06 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -63.12 -42.67 99.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.967 . . . . 0.0 109.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.78 -40.22 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.282 -0.886 . . . . 0.0 109.783 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -63.26 -42.29 99.15 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.088 -1.008 . . . . 0.0 109.134 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.06 -41.6 88.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.064 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 109.224 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.5 -49.55 66.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.496 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.2 -38.12 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.81 -1.181 . . . . 0.0 109.586 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.29 -44.88 82.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.085 -1.009 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.35 -41.91 90.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.22 -42.93 88.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 108.931 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.59 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.993 . . . . 0.0 110.043 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -61.39 -38.74 88.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.171 -0.955 . . . . 0.0 109.43 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.87 -47.24 84.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.98 -36.02 83.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.743 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.56 -45.8 88.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.175 -0.953 . . . . 0.0 108.677 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -66.43 -46.43 76.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 0.0 109.253 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 t -48.24 -51.54 25.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 109.787 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 109.653 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.145 0.497 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.51 -46.45 86.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.01 . . . . 0.0 109.73 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.54 -40.77 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.866 . . . . 0.0 109.41 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.78 -44.74 96.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.0 108.765 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.68 -54.28 41.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.614 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.526 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -50.93 -41.87 59.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.028 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -62.81 -41.86 99.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.451 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.85 -39.1 87.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.453 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -59.53 -41.36 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -63.91 -43.31 96.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.41 -0.806 . . . . 0.0 109.166 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 22' ' ' LEU . 97.1 mt -63.2 -70.85 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 0.0 109.554 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 62.7 mttm -39.61 -44.75 1.52 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.732 -0.605 . . . . 0.0 109.996 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -63.23 -44.54 94.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.171 -0.955 . . . . 0.0 109.0 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tp -60.77 -37.44 81.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.838 . . . . 0.0 109.292 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.26 -42.65 98.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.199 -0.938 . . . . 0.0 109.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -67.05 -41.37 86.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 0.0 109.4 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.81 -36.48 82.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.678 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.26 -40.28 90.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.943 . . . . 0.0 109.444 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -67.26 -37.76 84.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.641 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.719 ' HZ1' HD11 ' A' ' 26' ' ' LEU . 36.4 ttmt -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.093 -1.004 . . . . 0.0 108.981 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.21 -38.68 84.09 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.333 -0.854 . . . . 0.0 108.785 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.44 -38.37 83.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -67.1 -54.59 19.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.151 -0.968 . . . . 0.0 109.554 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -52.7 -33.34 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.734 -1.229 . . . . 0.0 108.799 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.96 -43.5 87.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.02 -42.48 99.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 109.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.607 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -65.85 -46.15 79.56 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -51.98 -49.02 64.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.143 -0.973 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -65.74 -39.92 91.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 109.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.58 -48.28 81.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 109.875 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.66 -35.01 79.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 0.0 109.524 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' GLN . 59.2 t-80 -60.9 -47.9 84.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 108.973 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -67.55 -44.95 77.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.281 -0.887 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.62 -44.21 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' HIS . 2.7 pt20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 109.679 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -63.35 -45.57 90.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.417 -0.802 . . . . 0.0 109.903 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.26 -43.9 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 109.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.2 tt -60.1 -41.15 91.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 mmt -57.21 -51.6 68.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.069 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -51.69 -41.39 61.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 108.76 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.79 -42.2 91.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.58 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -65.21 -42.59 93.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.347 -0.846 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.98 -40.41 95.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.4 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -62.1 -42.43 99.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -0.861 . . . . 0.0 109.406 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -64.18 -70.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.893 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ILE . 61.1 tttm -40.0 -44.87 1.81 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.622 -0.674 . . . . 0.0 110.128 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 41.9 tt0 -62.41 -45.73 91.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.121 -0.987 . . . . 0.0 108.871 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.59 -33.56 68.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.449 -0.782 . . . . 0.0 108.938 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.83 -41.68 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -64.27 -43.01 96.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.137 -0.977 . . . . 0.0 110.181 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 21' ' ' GLU . 85.8 mtt180 -66.9 -39.86 87.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.036 . . . . 0.0 109.225 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.51 -38.73 87.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.468 -0.77 . . . . 0.0 109.603 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.8 p -64.64 -37.66 88.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.91 -40.95 91.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.278 -0.889 . . . . 0.0 109.638 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -63.6 -40.54 97.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.16 -40.33 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.959 . . . . 0.0 109.651 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.6 -39.32 93.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 109.384 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -67.32 -49.49 63.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.28 -0.887 . . . . 0.0 109.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.3 mt -53.54 -35.97 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.914 -1.116 . . . . 0.0 109.211 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -65.96 -44.17 85.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.436 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.97 -35.92 81.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.0 109.949 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.65 -42.16 91.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.82 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -63.69 -42.1 98.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.162 -0.961 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -62.86 -41.92 99.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.035 -1.04 . . . . 0.0 108.876 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -42.5 99.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.417 -0.802 . . . . 0.0 109.185 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -60.97 -37.72 83.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.477 -0.764 . . . . 0.0 109.259 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -60.46 -46.3 90.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.049 -1.032 . . . . 0.0 108.926 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.25 -42.72 93.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.383 -0.823 . . . . 0.0 109.516 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.9 m -53.03 -53.08 55.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 110.421 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.188 -179.123 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -58.93 -46.21 88.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 0.0 109.802 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.916 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 63.8 mmm -61.11 -52.86 63.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.83 -39.23 58.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 109.358 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.32 -42.47 96.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.977 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -65.09 -42.41 94.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 109.817 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.11 -35.8 81.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 0.0 109.509 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.59 -44.01 95.3 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.242 -0.911 . . . . 0.0 109.149 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' B' ' 20' ' ' LYS . 95.9 mt -62.76 -68.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 0.0 109.685 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.2 ttpp -39.84 -41.39 1.13 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.702 -0.624 . . . . 0.0 110.019 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.41 -47.02 87.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.938 . . . . 0.0 109.048 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.93 -32.48 69.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.154 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -63.31 -46.09 88.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 109.374 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.12 -41.56 81.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.192 -0.943 . . . . 0.0 109.718 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -65.78 -38.12 88.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 0.0 109.724 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.95 -39.89 83.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.451 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.3 -40.28 93.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.77 -37.51 84.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.405 -0.809 . . . . 0.0 109.391 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.87 -52.52 62.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.309 -0.869 . . . . 0.0 109.333 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.28 -38.16 70.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.224 -0.923 . . . . 0.0 109.143 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.38 -36.9 79.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.423 -0.798 . . . . 0.0 109.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.38 -56.04 9.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.516 ' N ' HD12 ' B' ' 33' ' ' ILE . 2.0 mp -53.4 -31.06 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.51 -1.369 . . . . 0.0 108.092 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -67.87 -47.35 69.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.408 -0.808 . . . . 0.0 109.095 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.71 -42.8 97.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.801 . . . . 0.0 109.802 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.73 -38.38 83.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.898 . . . . 0.0 109.433 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.69 -43.28 94.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.499 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -65.03 -42.44 94.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -61.74 -39.38 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.955 . . . . 0.0 109.255 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -69.72 -37.01 76.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 108.907 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -61.58 -47.59 84.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.938 . . . . 0.0 109.705 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -62.65 -43.54 98.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.247 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.58 -50.09 43.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 0.0 109.444 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.301 0.572 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -62.73 -42.98 99.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.12 -0.988 . . . . 0.0 110.07 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -66.13 -46.47 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.494 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.586 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.42 -41.79 98.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.144 -0.973 . . . . 0.0 109.146 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.65 -55.82 26.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.991 -1.068 . . . . 0.0 109.26 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.6 tt -47.74 -39.95 19.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 0.0 108.702 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -65.88 -39.33 90.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.65 -39.11 92.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -65.79 -36.05 82.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.28 -0.887 . . . . 0.0 109.091 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.9 -45.51 94.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.506 -0.746 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.6 mm -66.61 -64.89 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.945 . . . . 0.0 109.875 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ILE . 3.2 ttmp? -37.3 -43.5 0.54 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.761 -0.587 . . . . 0.0 110.137 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.1 -44.99 87.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.214 -0.929 . . . . 0.0 108.792 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.527 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.12 -37.38 82.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.87 -42.55 98.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.06 -1.025 . . . . 0.0 109.164 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -69.0 -40.02 78.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.278 -0.889 . . . . 0.0 109.518 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -65.71 -38.33 88.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.296 -0.877 . . . . 0.0 109.261 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.34 -41.45 93.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.906 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -61.8 -40.13 94.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.19 -41.67 99.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.911 . . . . 0.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.81 -48.35 80.98 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -53.23 -44.53 68.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 0.0 109.403 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.52 -35.75 76.74 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.225 -0.922 . . . . 0.0 109.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.97 -52.5 35.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.0 109.971 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' B' ' 33' ' ' ILE . 18.0 mm -53.14 -35.89 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.69 -1.256 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -65.04 -46.7 80.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -67.38 -37.52 83.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.504 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -66.51 -44.29 82.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.306 -0.871 . . . . 0.0 109.17 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -59.54 -41.66 90.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.53 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -63.95 -38.86 92.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.0 109.778 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -62.03 -46.75 87.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.196 -0.94 . . . . 0.0 109.858 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.67 -33.5 75.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.074 -1.016 . . . . 0.0 109.637 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.94 -51.49 67.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 109.229 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.15 -43.54 94.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.235 -0.915 . . . . 0.0 109.31 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.9 m -48.58 -47.05 39.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.126 0.489 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.63 -54.19 49.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.225 -0.922 . . . . 0.0 110.203 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.84 -37.27 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.023 -1.048 . . . . 0.0 109.377 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.94 -42.11 84.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 0.0 109.106 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 41.5 mtt -69.59 -51.93 30.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 109.106 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.08 -43.8 41.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.209 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.99 -44.85 95.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.19 -0.944 . . . . 0.0 108.563 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.79 -41.23 86.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.13 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -64.08 -41.2 97.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.389 -0.819 . . . . 0.0 110.263 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.25 -48.74 80.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.165 -0.959 . . . . 0.0 109.914 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' B' ' 20' ' ' LYS . 1.4 mp -63.29 -65.47 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.995 . . . . 0.0 109.439 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.9 tttt -36.6 -45.99 0.55 Allowed 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.194 0.521 . . . . 0.0 110.602 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -60.46 -47.98 83.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 108.706 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 19' ' ' ILE . 34.7 tp -58.5 -34.94 71.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.457 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -61.87 -45.59 93.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 109.946 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -68.46 -39.17 81.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.932 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -66.41 -36.97 84.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.181 -0.95 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.09 -40.02 86.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.584 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -63.53 -41.55 98.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.12 -38.75 86.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.536 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.7 -46.62 81.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.227 -0.921 . . . . 0.0 108.99 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -55.79 -40.8 73.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.005 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.26 -34.11 76.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.0 108.952 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.67 -52.62 24.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' A' ' 33' ' ' ILE . 23.3 mm -56.08 -33.44 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.14 -42.56 84.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.41 -37.14 84.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.547 ' O ' HD23 ' B' ' 36' ' ' LEU . 1.2 tt -67.42 -42.98 82.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 108.781 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -43.22 95.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.195 -0.94 . . . . 0.0 109.351 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.98 -41.67 95.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.339 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.3 -41.05 98.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.275 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.64 -37.49 84.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.373 -0.83 . . . . 0.0 109.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.75 -47.52 85.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.228 -0.92 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -69.21 -42.09 76.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.339 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 t -47.68 -43.75 26.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.743 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 0.0 109.408 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.33 -46.4 88.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.907 . . . . 0.0 109.82 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.26 -41.36 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.807 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 tt -61.49 -44.16 97.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 108.906 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mmm -59.02 -52.44 65.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.85 -40.27 55.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 15.1 mtpp -64.33 -39.98 94.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.163 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.04 -41.14 91.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.426 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.13 -40.08 96.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.294 -0.879 . . . . 0.0 109.468 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -62.38 -42.63 99.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.41 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.9 mt -64.92 -69.77 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.66 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.6 ttpp -40.63 -44.62 2.17 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 109.918 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.83 -46.13 89.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 108.816 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.07 -37.06 78.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.071 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -63.74 -40.42 96.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.741 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.23 -41.44 94.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -66.43 -34.14 77.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.919 . . . . 0.0 109.037 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.26 -39.81 86.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 108.899 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.1 t -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.17 -0.956 . . . . 0.0 109.328 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.24 -38.36 90.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.11 -44.85 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -56.76 -42.63 79.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.85 -38.82 89.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.71 -50.38 62.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.06 -37.75 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.74 -42.57 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 0.0 109.307 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -62.23 -42.6 99.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.55 -46.94 71.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.286 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -57.29 -43.34 83.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -0.938 . . . . 0.0 109.497 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.76 -38.03 88.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -60.0 -45.04 94.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 109.764 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -35.09 77.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.118 -0.989 . . . . 0.0 109.636 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.0 -50.46 74.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -68.08 -46.27 71.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.53 -49.02 27.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.478 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 109.487 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -60.98 -44.03 97.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.045 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.78 -41.98 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 109.712 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.33 -38.55 87.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.124 -0.985 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 13.4 mmt -64.77 -55.22 21.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.89 -41.95 46.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.299 -0.876 . . . . 0.0 108.932 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.464 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 32.6 ttmt -63.37 -41.41 98.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.191 -0.943 . . . . 0.0 109.338 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -65.91 -39.22 90.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -0.946 . . . . 0.0 109.405 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.87 -37.6 88.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.091 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -63.21 -43.29 98.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.299 -0.876 . . . . 0.0 109.152 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 85.2 mt -65.75 -71.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.0 tptp -41.02 -42.7 1.98 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.578 -0.701 . . . . 0.0 109.624 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.07 -46.18 88.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.953 . . . . 0.0 108.566 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 6.3 tt -58.11 -37.77 75.21 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.01 -44.45 92.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.918 . . . . 0.0 109.32 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -67.15 -37.23 83.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 108.905 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.65 -42.45 95.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.7 p -65.81 -37.81 87.27 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.901 . . . . 0.0 108.976 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.65 -44.15 91.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.412 -0.805 . . . . 0.0 109.053 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -60.89 -38.63 86.34 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.3 -38.64 87.54 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.457 -0.777 . . . . 0.0 109.297 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.5 -38.83 92.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -68.42 -56.94 6.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.22 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -51.29 -36.33 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.866 -1.146 . . . . 0.0 109.057 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.63 -42.55 86.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.363 -0.836 . . . . 0.0 109.489 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.67 -41.07 98.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.486 -0.759 . . . . 0.0 109.918 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.33 -38.84 88.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.141 -0.974 . . . . 0.0 108.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -56.99 -46.46 82.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.214 -0.929 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -66.67 -41.82 87.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -60.09 -39.43 86.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 108.766 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.18 -36.81 77.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.267 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.14 -47.23 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.132 -0.98 . . . . 0.0 109.874 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.61 -46.48 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 109.699 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 2.0 p -48.35 -41.94 30.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.982 -1.074 . . . . 0.0 109.497 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 4.3 tp-100 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.263 -0.898 . . . . 0.0 109.145 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.272 0.558 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.93 -45.87 91.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.861 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -67.63 -40.23 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 109.787 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.8 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.51 -53.96 49.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 0.0 109.48 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -48.48 -42.31 32.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.157 -0.964 . . . . 0.0 109.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.12 -41.36 97.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -64.04 -39.47 94.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.661 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.47 -38.16 90.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.188 -0.945 . . . . 0.0 109.556 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -63.46 -46.39 86.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 34.1 mm -67.65 -64.63 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.103 -0.998 . . . . 0.0 109.513 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ILE . 19.8 tptm -39.64 -45.92 1.74 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.648 -0.657 . . . . 0.0 109.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.71 -46.15 86.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 0.0 109.106 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.33 -36.86 78.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.862 . . . . 0.0 109.269 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.23 -40.05 94.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.99 -42.4 94.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 0.0 109.259 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -66.45 -36.03 81.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.06 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 -42.39 98.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.362 -0.836 . . . . 0.0 109.013 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.3 m -64.62 -38.82 92.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.925 . . . . 0.0 109.201 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -64.31 -42.69 96.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.03 -41.09 91.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 108.943 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.23 -43.09 99.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.437 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.04 -38.16 90.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.118 -0.989 . . . . 0.0 109.956 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.31 -49.53 69.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.047 -1.033 . . . . 0.0 108.963 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -52.98 -34.69 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.915 -1.116 . . . . 0.0 108.315 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -65.25 -43.93 89.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.264 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -64.73 -42.93 94.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.366 -0.834 . . . . 0.0 109.669 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.91 -42.21 98.82 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.56 -43.31 99.1 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.512 -0.742 . . . . 0.0 109.023 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -32.9 72.65 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.566 -0.708 . . . . 0.0 109.473 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.26 -55.53 10.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.63 -35.33 79.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.942 -1.099 . . . . 0.0 109.485 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -61.2 -49.61 76.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.943 -1.098 . . . . 0.0 108.766 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -63.37 -49.24 74.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 109.378 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.86 -43.07 28.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 109.939 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.083 -1.011 . . . . 0.0 109.926 -179.635 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -0.918 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.7 ' N ' HD12 ' B' ' 11' ' ' ILE . 2.0 mp -65.43 -41.13 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 0.0 109.483 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.79 -38.76 89.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mtp -63.23 -55.22 26.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.95 . . . . 0.0 109.648 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.96 -38.36 50.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -63.34 -43.2 98.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.303 -0.873 . . . . 0.0 109.52 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.21 -40.23 90.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.23 -0.919 . . . . 0.0 109.774 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.19 -38.2 90.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 109.468 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.93 -43.37 96.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.48 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.8 mt -64.08 -69.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.774 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.8 ttpt -39.32 -43.13 1.12 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.73 -0.606 . . . . 0.0 110.199 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.63 -47.34 86.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -0.953 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.59 -34.62 71.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.129 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -63.55 -42.78 98.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.613 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -66.16 -42.67 88.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.872 . . . . 0.0 109.715 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.99 -37.68 86.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 109.294 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.69 -38.31 86.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' SER . . . . . 0.421 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.7 m -65.02 -42.21 94.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.549 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.81 -40.55 97.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.336 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -63.06 -42.07 99.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.299 -0.876 . . . . 0.0 108.863 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.88 -40.32 79.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.24 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -64.11 -35.2 79.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 0.0 109.028 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -67.2 -58.86 4.06 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.616 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 33' ' ' ILE . 1.4 mp -53.58 -31.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.688 -1.258 . . . . 0.0 108.651 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.0 -46.27 78.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.17 -37.66 88.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.128 -0.982 . . . . 0.0 109.082 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.38 -44.83 82.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -63.99 -42.43 97.21 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.411 -0.805 . . . . 0.0 109.697 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -62.66 -42.72 99.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 109.908 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.95 -42.06 97.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.501 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.34 -35.25 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.59 -45.6 93.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 0.0 109.334 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.95 -46.04 75.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.61 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.4 m -48.13 -46.96 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 0.0 109.552 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 109.4 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.221 0.534 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -64.46 -45.84 85.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.36 -43.32 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.241 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.89 -41.59 98.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.175 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.54 -54.7 24.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.38 -37.09 35.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 108.731 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -63.4 -42.96 98.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.339 -0.851 . . . . 0.0 108.714 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -63.21 -38.19 90.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -63.21 -38.59 91.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.221 -0.925 . . . . 0.0 109.374 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.79 -48.86 77.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 109.827 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 26.8 mm -66.37 -65.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.16 -0.963 . . . . 0.0 109.877 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 77.7 tttt -39.41 -40.24 0.78 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.601 -0.687 . . . . 0.0 110.066 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' OE2' ' NE ' ' A' ' 25' ' ' ARG . 14.5 tm-20 -63.79 -48.87 75.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.09 -36.03 78.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 0.0 109.46 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -62.35 -41.96 99.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -65.64 -41.77 92.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' ' OE2' ' A' ' 21' ' ' GLU . 93.2 mtt180 -65.5 -33.71 76.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.871 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.3 -45.64 93.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 108.807 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -61.04 -41.96 97.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.03 -39.32 93.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.363 -0.835 . . . . 0.0 109.725 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -64.22 -43.54 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 109.09 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.61 -42.17 82.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.412 -0.805 . . . . 0.0 109.089 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -62.94 -36.7 84.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.253 -0.905 . . . . 0.0 108.835 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.99 -51.83 42.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 109.475 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -54.01 -36.41 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.863 -1.148 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.86 -42.49 77.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.167 -0.958 . . . . 0.0 109.716 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.16 -39.09 93.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.16 -0.963 . . . . 0.0 109.21 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.44 -40.12 89.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.263 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.81 -46.3 90.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -63.59 -42.14 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.11 -0.994 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.61 -39.09 83.08 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.216 -0.927 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.71 -36.2 81.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.01 -50.38 72.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.439 -0.788 . . . . 0.0 109.32 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -65.86 -42.59 90.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.262 -0.899 . . . . 0.0 109.267 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -47.12 -52.28 15.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.266 -0.896 . . . . 0.0 109.365 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.049 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.15 -45.68 92.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 109.841 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.91 -42.68 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 109.776 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.1 tt -60.13 -43.12 95.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 109.244 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -53.66 52.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.111 -0.993 . . . . 0.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.202 -0.936 . . . . 0.0 109.232 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.84 -47.32 86.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.247 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.55 -36.75 83.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.213 -0.929 . . . . 0.0 109.139 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -59.85 -42.48 93.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.092 -1.005 . . . . 0.0 109.196 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -61.76 -48.9 78.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.8 mm -67.23 -65.25 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -0.944 . . . . 0.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 19' ' ' ILE . 37.4 tttp -37.13 -45.89 0.65 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -62.77 -48.53 78.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.169 -0.957 . . . . 0.0 108.831 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 19' ' ' ILE . 58.7 tp -60.58 -33.5 72.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 0.0 109.275 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.397 -0.814 . . . . 0.0 109.515 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -65.24 -40.66 94.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.312 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt-85 -68.04 -34.29 76.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.325 -0.859 . . . . 0.0 109.006 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.495 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -60.23 -47.62 85.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.423 -0.798 . . . . 0.0 109.015 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.9 p -63.67 -39.46 94.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.006 . . . . 0.0 109.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.85 -40.69 97.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.928 . . . . 0.0 109.626 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -63.9 -44.85 91.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.0 109.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -55.18 -39.98 70.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 0.0 108.722 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.77 -38.63 91.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.504 -0.748 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.18 -54.21 16.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.272 -0.893 . . . . 0.0 109.762 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.76 -35.04 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.863 -1.148 . . . . 0.0 109.455 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.5 -41.52 88.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.54 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -65.99 -35.53 80.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -65.92 -43.7 87.37 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -56.93 -47.08 81.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.624 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -63.03 -40.67 98.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.163 -0.961 . . . . 0.0 109.713 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.95 -42.09 93.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.183 -0.948 . . . . 0.0 109.586 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.569 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -65.99 -37.16 85.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.354 -179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.87 -47.36 86.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.987 -1.071 . . . . 0.0 109.304 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.87 -45.95 73.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 109.458 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' B' ' 44' ' ' GLN . 92.2 m -48.32 -44.54 34.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' CYS . 51.6 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.769 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.05 -43.3 95.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.08 -46.21 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.362 -0.836 . . . . 0.0 109.959 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.61 -44.3 96.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 109.033 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 mtt -58.4 -52.74 64.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 109.123 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.94 -41.54 59.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.22 -40.51 96.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.882 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -66.14 -37.17 85.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.875 . . . . 0.0 109.184 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.8 -44.57 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.548 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.28 -43.02 99.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.243 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' LEU . 95.7 mt -65.16 -68.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.291 -0.881 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.9 tttm -40.85 -42.29 1.78 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.642 -0.661 . . . . 0.0 109.572 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.45 -45.21 91.88 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.2 tt -59.56 -37.86 79.57 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.44 -40.95 98.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.59 -45.6 86.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -65.81 -37.58 86.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 0.0 109.102 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.161 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 m -62.7 -40.65 97.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 0.0 109.662 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -66.58 -38.73 87.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.0 109.515 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HZ1' HD11 ' A' ' 33' ' ' ILE . 17.3 tptp -61.39 -50.4 73.0 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.283 -0.886 . . . . 0.0 108.798 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -52.38 -45.82 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.103 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.03 -34.78 66.19 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.68 -53.81 12.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.513 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.561 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 12.2 mm -55.19 -36.3 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.751 -1.218 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.38 -43.3 86.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.886 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -67.39 -37.16 82.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.905 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -64.52 -44.56 90.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.893 . . . . 0.0 108.738 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.33 -41.08 92.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.0 109.429 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -61.74 -40.3 94.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.371 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.47 -46.48 88.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.54 -34.86 78.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.85 -49.42 74.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.139 -0.975 . . . . 0.0 109.204 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.67 -45.69 74.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.366 -0.834 . . . . 0.0 109.459 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -47.44 -46.24 26.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.382 -0.824 . . . . 0.0 109.698 -179.847 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -59.49 -46.39 88.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.53 -40.57 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.561 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.52 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.82 -39.9 93.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.303 -0.873 . . . . 0.0 109.128 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 66.0 mmm -66.77 -58.0 5.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.979 . . . . 0.0 109.641 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 tp -48.14 -41.56 27.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.385 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.62 -42.27 98.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.339 -0.851 . . . . 0.0 109.119 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.74 -38.0 86.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.845 . . . . 0.0 109.421 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -63.33 -36.34 83.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.81 -46.11 83.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 109.328 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 22' ' ' LEU . 2.1 mp -66.94 -69.29 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.078 -1.014 . . . . 0.0 109.319 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.6 ttpp -38.31 -42.51 0.72 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.665 -0.647 . . . . 0.0 110.363 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.89 -46.28 85.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.0 108.823 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' ILE . 57.6 tp -61.31 -36.4 80.02 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 108.971 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.15 -38.36 86.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 108.97 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.11 -39.96 90.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 0.0 109.287 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -70.47 -38.82 74.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.448 ' O ' HD23 ' B' ' 26' ' ' LEU . 2.5 tt -59.27 -47.09 86.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 108.839 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.1 p -63.29 -37.98 89.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.087 -1.008 . . . . 0.0 109.016 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -64.84 -40.39 95.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.4 -0.812 . . . . 0.0 109.109 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -63.83 -44.5 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -38.82 84.38 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.254 -0.904 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.36 -39.64 91.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.347 -0.845 . . . . 0.0 109.314 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -70.63 -49.73 44.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.128 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.423 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 97.6 mt -51.35 -38.23 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.829 -1.169 . . . . 0.0 108.966 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -68.54 -43.33 76.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.469 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -64.72 -38.31 90.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.275 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.557 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.3 OUTLIER -66.6 -44.36 82.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -60.3 -42.17 94.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.67 HH12 ' NZ ' ' B' ' 42' ' ' LYS . 70.6 ttt-85 -60.79 -41.47 95.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -62.93 -42.14 99.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.777 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.02 -37.34 83.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 0.0 109.778 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.82 -54.0 41.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.204 -0.935 . . . . 0.0 109.694 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.67 ' NZ ' HH12 ' B' ' 38' ' ' ARG . 49.6 mtmt -60.24 -45.4 93.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 t -48.78 -43.19 37.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.225 -0.922 . . . . 0.0 109.287 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.444 -0.785 . . . . 0.0 109.412 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.169 0.509 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.03 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.461 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.5 mt -68.41 -39.77 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.144 -0.972 . . . . 0.0 109.836 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 0.0 109.011 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmt -60.17 -54.69 42.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.126 -0.984 . . . . 0.0 109.206 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.52 -34.96 27.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -62.65 -44.37 96.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.851 . . . . 0.0 108.839 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -65.36 -39.29 92.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.871 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.22 -43.31 92.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.251 -0.906 . . . . 0.0 109.406 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.9 -44.0 91.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 108.937 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -62.16 -70.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 76.1 tttt -40.04 -46.27 2.09 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.754 -0.591 . . . . 0.0 109.965 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.7 -46.4 85.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.986 -1.071 . . . . 0.0 109.317 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.2 -37.04 69.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.245 -0.909 . . . . 0.0 108.586 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.31 -40.35 97.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.482 -0.761 . . . . 0.0 109.206 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.68 -45.81 77.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 109.954 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -63.06 -36.5 83.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.089 -1.007 . . . . 0.0 109.42 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.31 -38.62 88.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.034 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.7 p -64.1 -39.73 94.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.58 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.62 -40.43 88.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 109.75 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -66.3 -45.66 79.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.626 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.65 -38.91 82.71 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.145 -0.972 . . . . 0.0 109.17 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.08 -38.58 91.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.883 . . . . 0.0 109.277 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.25 -48.86 69.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.208 -0.933 . . . . 0.0 109.385 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.3 mt -55.49 -34.38 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.858 -1.151 . . . . 0.0 109.012 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -65.04 -44.72 88.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.26 -45.2 81.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.382 -0.824 . . . . 0.0 108.999 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -59.87 -41.63 91.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.744 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.66 -39.41 93.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 109.634 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.81 -46.74 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.729 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.2 -33.17 75.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.938 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.13 -49.84 74.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.441 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.71 -44.05 94.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.332 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.36 -48.98 36.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.359 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 109.335 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.29 -49.41 76.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.37 -0.831 . . . . 0.0 110.095 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.51 -47.27 86.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.174 -0.954 . . . . 0.0 109.721 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.9 mtt -63.83 -55.39 23.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.06 -1.025 . . . . 0.0 109.556 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.68 -37.11 49.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.215 -0.928 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.69 -46.3 90.31 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -61.46 -35.21 76.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 108.91 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -59.35 -43.91 92.73 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.449 -0.782 . . . . 0.0 109.089 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.14 -43.42 98.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.652 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' B' ' 22' ' ' LEU . 25.8 mm -62.32 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.041 . . . . 0.0 109.715 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.8 mtpp -37.66 -40.51 0.42 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.749 -0.594 . . . . 0.0 110.579 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -63.23 -47.08 83.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.901 -1.124 . . . . 0.0 108.779 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 19' ' ' ILE . 61.9 tp -61.05 -34.21 74.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -61.56 -42.45 98.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.396 -0.815 . . . . 0.0 109.399 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -69.84 -40.67 75.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.278 -0.889 . . . . 0.0 109.695 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -67.73 -35.1 78.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.195 -0.941 . . . . 0.0 109.242 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.546 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.3 OUTLIER -65.38 -43.77 89.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 108.76 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.7 t -60.14 -41.14 92.09 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.92 -37.7 79.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.367 -0.833 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -65.97 -47.17 75.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.25 -0.907 . . . . 0.0 108.968 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -57.84 -43.21 85.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 108.979 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.23 -33.73 71.35 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 108.798 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.26 -53.7 27.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.402 -0.811 . . . . 0.0 109.673 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.564 ' H ' HD12 ' B' ' 33' ' ' ILE . 2.7 mp -52.39 -35.85 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.75 -1.219 . . . . 0.0 108.561 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.76 -43.74 92.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.433 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.06 -39.16 92.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.932 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.49 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -67.55 -45.19 76.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 108.659 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -56.86 -47.68 79.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 108.911 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -61.72 -41.88 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.55 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -63.14 -41.85 99.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.568 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.58 -36.93 85.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.56 -50.77 70.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.253 -0.904 . . . . 0.0 109.436 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.69 -41.42 88.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' B' ' 44' ' ' GLN . 17.3 t -51.01 -42.16 60.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 109.899 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' B' ' 43' ' ' CYS . 21.9 pt20 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.695 -0.628 . . . . 0.0 110.456 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -57.1 -50.78 71.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.134 -0.979 . . . . 0.0 109.678 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -37.41 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.7 tt -60.9 -36.47 79.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.242 -0.911 . . . . 0.0 109.338 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 mtt -72.93 -50.29 24.4 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.848 -1.157 . . . . 0.0 109.689 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.5 -49.93 66.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.141 -0.974 . . . . 0.0 110.23 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HB2' ' HZ3' ' A' ' 15' ' ' LYS . 9.9 ptmm? -62.4 -38.31 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.725 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.81 -36.07 78.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.208 -0.932 . . . . 0.0 108.941 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.49 -37.51 87.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.346 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -62.83 -44.38 96.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 109.635 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 18.9 mm -66.83 -68.36 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.092 -1.005 . . . . 0.0 109.719 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ILE . 44.6 mttp -40.97 -44.62 2.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.637 -0.664 . . . . 0.0 109.776 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.35 -44.95 96.31 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.64 -36.7 79.31 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.529 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.82 -42.74 98.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 109.349 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.0 -41.4 95.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -68.52 -35.18 77.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.965 . . . . 0.0 109.28 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.56 -42.78 86.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.347 -0.846 . . . . 0.0 109.246 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 m -63.2 -38.68 92.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.952 . . . . 0.0 108.955 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -62.51 -40.42 96.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.398 -0.814 . . . . 0.0 109.125 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.51 -41.6 98.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.831 . . . . 0.0 109.359 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.07 -44.35 87.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.153 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.65 -38.59 89.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.875 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.7 -49.14 69.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.315 -0.866 . . . . 0.0 109.013 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -56.08 -34.58 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.858 -1.151 . . . . 0.0 108.944 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.96 -44.75 88.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.62 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -66.47 -37.2 84.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.184 -0.947 . . . . 0.0 109.27 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -67.18 -46.79 72.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -61.38 -42.33 98.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.196 -0.94 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -61.69 -42.87 99.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.1 -40.82 97.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 0.0 109.402 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.15 -37.57 87.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -60.57 -49.98 75.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.29 -45.69 90.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 0.0 109.121 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.8 m -48.64 -50.15 34.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.562 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.636 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -58.69 -48.12 82.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.724 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -39.65 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.629 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.26 -44.27 97.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.951 . . . . 0.0 108.96 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 72.5 mtp -63.27 -52.59 61.43 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.84 -37.88 45.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.425 -0.797 . . . . 0.0 108.85 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -64.97 -42.5 94.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 0.0 109.071 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.21 -40.62 90.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.364 -0.835 . . . . 0.0 109.306 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.91 -41.63 92.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.823 . . . . 0.0 109.192 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.93 -42.15 97.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.372 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 22' ' ' LEU . 96.6 mt -64.6 -70.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.697 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 17.8 tptp -39.05 -39.77 0.6 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.781 -0.575 . . . . 0.0 109.891 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.93 -44.8 84.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 108.986 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 19' ' ' ILE . 47.0 tp -62.5 -38.59 90.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.415 -0.803 . . . . 0.0 109.404 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -39.47 94.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.201 -0.937 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.99 -42.56 84.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.407 -0.808 . . . . 0.0 109.723 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -67.39 -36.26 80.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.154 -0.966 . . . . 0.0 109.25 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.92 -39.4 94.09 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.328 -0.858 . . . . 0.0 109.087 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.2 p -64.11 -41.03 97.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.277 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.401 -0.812 . . . . 0.0 109.746 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.51 -40.54 97.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.987 -1.071 . . . . 0.0 108.781 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -55.85 -43.66 77.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.34 -0.85 . . . . 0.0 108.943 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.05 -34.67 78.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.889 . . . . 0.0 109.177 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.85 -53.19 28.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.365 -0.834 . . . . 0.0 109.524 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mm -54.33 -36.79 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.817 -1.177 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.33 -47.26 80.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 109.51 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -65.66 -37.89 87.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.55 -46.6 75.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 108.901 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -59.81 -41.7 91.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.207 -0.933 . . . . 0.0 108.785 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -62.48 -36.45 82.53 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.567 -0.708 . . . . 0.0 109.242 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -64.63 -50.38 67.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.531 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.85 -34.14 76.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.158 -0.964 . . . . 0.0 109.711 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -60.9 -53.53 56.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.965 -1.084 . . . . 0.0 109.554 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.02 -39.56 83.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.442 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.71 -45.23 39.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.0 109.403 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 0.0 108.825 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -63.3 -45.83 89.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 mm -69.7 -42.99 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.786 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.82 -41.33 99.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 108.969 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 mmt -67.81 -56.41 9.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 108.918 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.06 -36.32 18.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' NZ ' ' CD1' ' B' ' 19' ' ' ILE . 54.8 tttm -65.65 -39.36 91.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.26 -37.84 88.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.39 -0.819 . . . . 0.0 109.012 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -63.01 -37.96 89.28 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.34 -0.85 . . . . 0.0 108.835 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -63.19 -42.29 99.32 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.362 -0.836 . . . . 0.0 109.023 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 85.9 mt -63.7 -73.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 109.762 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.7 ttpt -40.23 -42.39 1.49 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.595 -0.69 . . . . 0.0 110.001 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.52 -45.41 93.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.934 . . . . 0.0 108.806 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.22 -36.68 82.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.505 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.79 -40.06 87.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.946 . . . . 0.0 109.602 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -67.33 -39.59 85.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.64 -45.26 94.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.239 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -62.68 -38.84 91.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.47 -40.46 95.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -62.37 -42.61 99.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.54 -41.94 91.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.31 -36.89 83.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 109.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.34 -53.26 20.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.0 109.702 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.69 -34.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.843 -1.161 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.03 -42.94 88.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.43 -37.55 85.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -42.89 87.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 109.048 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.09 -43.31 95.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 109.752 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -63.51 -40.74 97.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.513 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.05 -41.09 97.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.54 -37.87 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.877 . . . . 0.0 109.341 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.2 -48.33 82.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 109.321 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 15.9 mtpp -63.19 -44.12 96.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.1 m -48.69 -50.26 34.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.297 -0.877 . . . . 0.0 109.412 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.081 0.467 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.22 -50.89 63.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.477 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.26 -42.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.872 . . . . 0.0 109.723 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.59 -43.47 76.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 108.614 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mmt -62.51 -50.43 71.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.345 -0.847 . . . . 0.0 108.863 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 14' ' ' LEU . 1.1 tt -51.81 -40.6 60.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -65.91 -43.87 86.89 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -65.54 -40.54 93.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.044 -1.035 . . . . 0.0 110.126 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.74 -38.49 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.983 -1.073 . . . . 0.0 109.497 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.2 -45.94 91.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.896 . . . . 0.0 109.177 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 66.5 mt -67.08 -63.85 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.41 -0.806 . . . . 0.0 109.847 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tttp -39.17 -43.89 1.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.364 0.602 . . . . 0.0 109.883 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.61 -46.23 89.23 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' ILE . 59.3 tp -58.7 -36.86 74.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.462 -0.774 . . . . 0.0 109.192 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.36 -43.35 99.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.42 -41.86 88.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.26 -0.9 . . . . 0.0 109.757 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -68.1 -35.65 78.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.175 -0.953 . . . . 0.0 109.423 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.514 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -61.98 -44.36 96.89 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.171 -0.956 . . . . 0.0 108.723 179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -61.47 -41.57 97.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.069 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.16 -40.5 94.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -61.25 -48.3 82.07 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.294 -0.879 . . . . 0.0 109.071 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -57.94 -39.17 77.4 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.523 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.21 -38.78 80.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -67.51 -50.49 58.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 109.614 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.73 -38.07 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.554 -1.341 . . . . 0.0 109.067 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.13 -46.15 74.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.741 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.7 -39.7 94.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 0.0 109.582 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.6 -42.62 82.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.88 . . . . 0.0 109.056 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -61.67 -42.89 99.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.193 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -62.47 -40.23 95.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.311 -0.868 . . . . 0.0 108.94 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -65.7 -41.82 91.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.19 -36.62 83.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 0.0 109.177 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -62.52 -47.15 85.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.102 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.75 -45.68 92.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.896 . . . . 0.0 109.22 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 80.6 m -49.9 -49.97 47.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.27 -0.894 . . . . 0.0 109.201 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.432 -0.792 . . . . 0.0 109.385 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.29 0.567 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.88 -48.31 81.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.11 -40.3 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.949 . . . . 0.0 109.877 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 12' ' ' LEU . 4.0 tt -61.29 -46.78 88.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.122 -0.986 . . . . 0.0 108.936 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.23 -56.03 26.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.08 -1.013 . . . . 0.0 109.396 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -50.96 -37.67 45.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 108.999 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -62.31 -42.15 99.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.825 . . . . 0.0 108.98 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.08 -37.18 85.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -0.857 . . . . 0.0 109.086 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -63.58 -38.26 90.47 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.845 . . . . 0.0 109.035 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -63.85 -43.87 94.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.373 -0.83 . . . . 0.0 109.11 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LEU . 98.3 mt -62.88 -71.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.264 -0.898 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 49.5 tttp -40.26 -40.93 1.23 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.728 -0.607 . . . . 0.0 109.914 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.21 -46.72 87.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 0.0 108.729 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 40.9 tp -60.08 -35.14 74.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.415 -0.803 . . . . 0.0 109.129 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.59 -40.89 98.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.85 -45.07 83.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 109.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -68.13 -36.77 80.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -0.968 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.02 -40.92 95.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.31 -0.869 . . . . 0.0 109.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 m -64.49 -38.35 90.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.417 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.69 -42.17 95.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HZ3' HD11 ' B' ' 26' ' ' LEU . 33.6 ttpt -62.32 -43.05 99.72 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.225 -0.922 . . . . 0.0 108.994 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.81 -40.34 83.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.318 -0.864 . . . . 0.0 109.138 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.073 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -70.5 -57.24 4.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' B' ' 33' ' ' ILE . 26.9 mm -54.81 -32.3 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.75 -1.219 . . . . 0.0 109.14 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -67.92 -41.86 81.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -0.849 . . . . 0.0 109.607 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -66.7 -38.27 86.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 109.69 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.07 -41.56 86.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.929 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -63.1 -41.96 99.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -63.57 -39.61 94.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.592 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.47 -32.5 74.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.579 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -63.45 -50.24 70.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.207 -0.933 . . . . 0.0 109.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.51 -44.83 95.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 0.0 109.214 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -49.74 -49.69 47.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.489 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.246 0.546 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -58.82 -45.65 89.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 0.0 109.739 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.43 -40.24 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.263 -0.898 . . . . 0.0 109.643 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.0 OUTLIER -61.54 -44.0 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.189 -0.944 . . . . 0.0 108.83 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mmm -62.54 -53.1 59.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.116 -0.99 . . . . 0.0 109.271 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -50.49 -41.32 53.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.233 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.3 -40.75 96.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -65.29 -37.73 88.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.53 -40.25 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.242 -0.911 . . . . 0.0 109.598 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -63.34 -43.3 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.7 mt -64.67 -69.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 0.0 109.773 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.9 ttmt -39.96 -43.55 1.55 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.665 -0.647 . . . . 0.0 110.013 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.09 -46.51 90.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -58.66 -36.55 74.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.858 . . . . 0.0 108.831 179.721 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -62.29 -42.2 99.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.31 -43.84 89.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.262 -0.899 . . . . 0.0 109.834 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.12 -35.65 81.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 109.068 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.462 HD11 ' HZ3' ' A' ' 29' ' ' LYS . 7.9 tp -65.31 -41.12 94.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.166 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -62.08 -41.09 97.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.208 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.0 -40.83 91.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.36 -0.837 . . . . 0.0 109.46 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.41 -44.43 96.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.258 -0.901 . . . . 0.0 108.924 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.68 -39.71 81.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.402 -0.811 . . . . 0.0 109.186 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 0.0 109.17 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.19 -53.58 23.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.679 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' A' ' 33' ' ' ILE . 23.8 mm -56.17 -35.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.807 -1.183 . . . . 0.0 109.563 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -65.59 -44.42 86.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 0.0 109.689 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.51 -37.51 86.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.26 -0.9 . . . . 0.0 109.669 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.44 -42.58 87.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.202 -0.936 . . . . 0.0 109.094 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -59.09 -43.8 91.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.305 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.49 -35.98 82.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.249 -0.907 . . . . 0.0 108.732 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.32 -51.57 67.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.96 -32.04 73.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 109.177 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.67 -47.33 82.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 108.985 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.85 -44.01 82.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.193 -0.942 . . . . 0.0 109.429 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.3 m -50.2 -53.35 28.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 N--CA 1.496 1.834 0 O-C-N 121.355 -0.841 . . . . 0.0 109.526 -179.529 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.84 -46.29 84.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.11 -41.35 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.976 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.99 -43.6 98.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.114 -0.991 . . . . 0.0 108.85 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -63.88 -54.09 40.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.105 -0.997 . . . . 0.0 108.92 179.575 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -50.2 -38.02 37.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.162 -0.961 . . . . 0.0 108.855 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.11 -41.34 97.29 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 108.983 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.56 -39.9 92.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.67 -37.8 88.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.306 -0.871 . . . . 0.0 109.261 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -61.34 -48.28 82.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 108.954 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 74.3 mt -63.97 -66.02 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.201 -0.937 . . . . 0.0 110.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.2 ttpp -39.07 -42.87 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.722 -0.611 . . . . 0.0 110.156 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.78 -46.92 83.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -0.982 . . . . 0.0 109.028 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.85 -35.86 79.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.374 -0.829 . . . . 0.0 109.167 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.64 -39.48 93.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -66.13 -42.9 88.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.842 . . . . 0.0 109.69 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -67.1 -34.68 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 109.44 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -63.75 -43.21 97.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 108.779 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -62.31 -40.91 97.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -37.89 88.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 0.0 109.594 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.21 -44.39 95.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -58.68 -43.74 90.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.204 -0.935 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -58.87 -36.47 74.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.869 . . . . 0.0 109.052 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.47 -54.85 12.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.57 -34.65 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.88 -1.138 . . . . 0.0 108.906 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -66.28 -46.92 75.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.359 -0.838 . . . . 0.0 109.59 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.76 -38.45 86.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.4 -39.1 88.81 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.272 -0.892 . . . . 0.0 108.735 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.31 -44.65 92.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.479 -0.763 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -64.13 -36.25 83.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -63.5 -46.28 86.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.01 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.99 -34.85 79.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.985 -1.072 . . . . 0.0 109.592 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.46 -49.31 78.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -65.28 -44.38 88.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.602 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.1 m -48.11 -47.67 34.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 0.0 109.561 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 109.756 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.45 -46.39 88.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.343 -0.848 . . . . 0.0 109.67 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.53 -40.17 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.82 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.533 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.2 tt -61.16 -43.31 99.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 109.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.96 -54.13 46.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.141 -0.975 . . . . 0.0 109.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.534 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.35 -39.59 32.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 109.004 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.07 -44.32 96.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 20' ' ' LYS . 84.5 tt0 -62.35 -38.53 89.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.77 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -65.14 -36.29 83.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -63.2 -46.51 86.72 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.353 -0.842 . . . . 0.0 109.77 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' B' ' 22' ' ' LEU . 29.9 mm -66.99 -67.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 109.934 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 16' ' ' GLU . 93.7 mttt -39.57 -40.47 0.88 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.616 -0.677 . . . . 0.0 110.031 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.41 -46.88 84.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 0.0 108.668 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' ILE . 53.7 tp -63.38 -35.03 79.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.358 -0.838 . . . . 0.0 109.119 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -61.3 -40.45 94.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 0.0 109.148 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.95 -40.3 87.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.341 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -67.09 -38.54 85.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.519 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -63.7 -41.67 98.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 108.92 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -63.13 -41.51 99.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 109.461 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -63.04 -39.67 95.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.327 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -64.81 -41.69 95.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.326 -0.859 . . . . 0.0 109.114 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.11 -47.36 75.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 108.86 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -32.3 73.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.34 -0.85 . . . . 0.0 108.931 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -68.95 -53.04 23.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.726 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.78 -35.5 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.909 -1.12 . . . . 0.0 109.652 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.02 -43.17 79.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.048 . . . . 0.0 109.724 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.29 -40.24 93.41 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.185 -0.947 . . . . 0.0 109.171 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 tp -67.1 -43.56 82.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 109.222 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -63.52 -44.33 94.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.164 -0.96 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.84 -41.01 94.97 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -58.98 -42.95 91.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 108.99 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.62 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER -63.89 -38.97 93.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 0.0 108.98 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -58.86 -50.48 73.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -0.917 . . . . 0.0 108.722 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -64.36 -46.79 81.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.49 -0.756 . . . . 0.0 109.657 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' B' ' 44' ' ' GLN . 12.7 t -51.31 -52.2 47.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.086 -1.008 . . . . 0.0 108.95 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' B' ' 43' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.495 -0.753 . . . . 0.0 109.514 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -60.46 -44.89 95.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.4 -42.49 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 109.945 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.03 -47.34 86.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 108.562 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.65 -52.88 58.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.064 -1.023 . . . . 0.0 108.999 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.26 -36.21 40.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 108.906 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.72 -41.57 99.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 108.881 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.05 -40.43 97.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.322 -0.861 . . . . 0.0 109.378 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.38 -37.87 80.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.303 -0.873 . . . . 0.0 109.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -42.96 99.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.092 -1.005 . . . . 0.0 109.168 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 85.5 mt -65.64 -69.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.418 -0.802 . . . . 0.0 109.986 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 54.9 mtpt -40.89 -46.88 2.86 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.614 -0.679 . . . . 0.0 110.26 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.18 -44.8 95.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.999 -1.063 . . . . 0.0 109.031 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.13 -35.7 71.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -62.98 -40.86 99.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.0 109.315 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -65.05 -42.89 93.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 0.0 109.714 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -68.02 -38.23 82.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.36 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 108.951 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.3 p -64.08 -37.93 89.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 109.326 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -65.92 -40.7 91.7 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -63.98 -43.8 94.64 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.319 -0.863 . . . . 0.0 109.076 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -57.84 -42.75 85.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.169 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.23 -35.88 80.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.314 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -67.29 -52.21 43.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.271 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.52 -36.28 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.865 -1.147 . . . . 0.0 109.109 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -69.16 -43.24 74.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 109.89 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.27 -42.79 96.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.753 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.61 -42.03 92.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 108.509 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.58 -41.33 94.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.331 -0.856 . . . . 0.0 109.281 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -39.63 91.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.34 -50.44 73.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.264 -0.898 . . . . 0.0 109.473 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mm? -67.05 -33.46 75.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.324 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.81 -48.83 78.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -64.5 -43.91 92.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.466 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.1 m -48.78 -50.17 35.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.27 -0.894 . . . . 0.0 109.548 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.153 0.501 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -49.76 -58.36 5.5 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.927 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.38 -37.29 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.388 -0.82 . . . . 0.0 110.426 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.73 -43.84 94.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.106 -0.996 . . . . 0.0 110.051 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 82.6 mmm -68.32 -51.38 45.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.928 -1.107 . . . . 0.0 109.292 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.523 ' O ' HD23 ' B' ' 14' ' ' LEU . 1.2 tt -48.51 -45.24 36.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.194 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -62.73 -40.06 96.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 0.0 109.407 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.39 -37.73 87.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.342 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.14 -36.46 79.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.377 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -63.41 -43.08 98.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.124 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' B' ' 20' ' ' LYS . 84.3 mt -66.94 -68.02 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.305 -0.872 . . . . 0.0 109.325 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 19' ' ' ILE . 50.2 tttp -40.68 -45.03 2.29 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.706 -0.621 . . . . 0.0 109.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -59.36 -46.51 88.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 108.782 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -61.07 -37.06 81.31 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.08 -40.48 85.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.163 -0.961 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -66.76 -45.25 79.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.726 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -65.71 -36.42 83.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.062 -1.024 . . . . 0.0 109.392 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.62 -42.03 99.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.245 -0.91 . . . . 0.0 109.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.3 p -65.54 -38.51 89.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.163 -0.96 . . . . 0.0 109.586 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 109.822 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.68 95.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.558 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -55.96 -49.05 74.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 109.182 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.64 -36.44 78.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.286 -0.884 . . . . 0.0 109.826 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.72 -49.84 60.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.618 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.77 -33.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.766 -1.209 . . . . 0.0 108.944 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.9 -42.92 84.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.852 . . . . 0.0 109.504 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -64.55 -38.23 90.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.885 . . . . 0.0 109.734 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.96 -42.37 90.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -63.01 -42.13 99.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.313 -0.867 . . . . 0.0 109.448 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.41 ' HE ' ' NZ ' ' B' ' 42' ' ' LYS . 79.3 ttt180 -61.01 -41.78 97.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 109.7 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.68 -44.82 96.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.0 109.579 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.673 ' O ' HD23 ' B' ' 40' ' ' LEU . 2.9 tt -61.23 -38.36 86.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.03 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -50.13 74.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 0.0 110.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.41 ' NZ ' ' HE ' ' B' ' 38' ' ' ARG . 30.0 mmtm -68.29 -47.26 68.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.123 -0.986 . . . . 0.0 110.239 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 7.3 p -47.79 -43.87 28.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.031 -1.043 . . . . 0.0 109.623 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.574 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 15.3 tm0? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -58.43 -45.97 87.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.392 -0.818 . . . . 0.0 109.569 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.15 -45.94 78.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.314 -0.866 . . . . 0.0 110.194 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.49 -40.97 75.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.948 -1.095 . . . . 0.0 108.775 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.3 mtp -59.05 -50.19 75.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 0.0 108.534 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -55.29 -40.54 71.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 109.76 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -63.45 -42.76 98.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.085 -1.009 . . . . 0.0 109.632 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -64.28 -39.31 93.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.24 -37.23 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 108.87 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -62.09 -49.41 76.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.767 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . 89.5 mt -63.36 -67.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.6 tttm -39.02 -41.44 0.78 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.251 0.548 . . . . 0.0 109.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 25' ' ' ARG . 69.2 tt0 -63.17 -49.58 73.74 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' ILE . 60.7 tp -58.99 -35.48 73.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.801 . . . . 0.0 108.912 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.93 -39.56 93.69 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.404 -0.81 . . . . 0.0 109.762 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -64.54 -45.46 87.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 109.553 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 21' ' ' GLU . 96.3 mtt180 -67.62 -35.07 78.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.478 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.52 -40.91 85.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.872 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.3 t -61.69 -42.24 98.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.94 -38.4 90.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.0 109.403 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -65.25 -44.92 86.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.062 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.16 -45.13 71.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.306 -0.871 . . . . 0.0 109.232 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.42 -31.21 72.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.117 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -69.16 -58.12 4.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' B' ' 33' ' ' ILE . 22.7 mm -55.99 -31.44 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.79 -1.194 . . . . 0.0 109.085 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.83 -42.57 94.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.31 -0.869 . . . . 0.0 109.249 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.49 -37.13 84.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.567 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.31 -45.18 81.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.323 -0.86 . . . . 0.0 108.955 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.8 -43.26 90.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.939 . . . . 0.0 109.396 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -63.07 -38.46 91.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 109.47 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.59 -47.39 85.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 109.751 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.83 -34.01 77.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.155 -0.965 . . . . 0.0 109.77 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.51 -48.54 80.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.154 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.19 -44.57 91.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.322 -0.861 . . . . 0.0 109.533 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.0 t -49.41 -49.73 43.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.704 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.371 0.605 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.54 -42.62 99.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 0.0 109.763 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.55 -43.2 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.516 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.511 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -59.51 -41.97 91.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 108.643 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -59.52 -50.8 72.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.075 -1.016 . . . . 0.0 109.23 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.544 ' O ' HD23 ' B' ' 14' ' ' LEU . 1.2 tt -50.15 -43.18 51.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.415 -0.803 . . . . 0.0 109.248 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -60.47 -46.14 91.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -63.48 -40.0 95.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.16 -0.962 . . . . 0.0 109.182 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -62.66 -40.63 97.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.829 . . . . 0.0 109.604 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.97 -42.89 99.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' B' ' 20' ' ' LYS . 76.6 mt -64.72 -68.16 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 0.0 109.966 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 19' ' ' ILE . 65.2 tttm -40.31 -46.22 2.28 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.748 -0.595 . . . . 0.0 110.143 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -60.09 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 0.0 108.856 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -60.61 -36.62 79.02 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -59.22 -42.09 90.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -68.01 -40.9 82.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.131 -0.98 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -67.08 -37.98 84.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.59 -39.14 84.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -0.83 . . . . 0.0 109.175 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 99.1 p -64.01 -39.82 94.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.141 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.08 -38.14 87.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -64.38 -46.2 84.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.221 -0.925 . . . . 0.0 108.936 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -54.6 -41.69 70.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 0.0 108.971 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.37 -33.44 75.97 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.307 -0.87 . . . . 0.0 109.453 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -71.42 -53.67 13.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.185 -0.947 . . . . 0.0 109.672 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' A' ' 33' ' ' ILE . 26.0 mm -55.11 -32.71 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.71 -1.244 . . . . 0.0 108.756 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -67.77 -41.95 82.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -65.1 -38.56 91.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.211 -0.931 . . . . 0.0 109.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -41.84 88.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.861 . . . . 0.0 108.724 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.04 -45.33 87.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -64.45 -40.93 96.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.0 109.415 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -61.46 -41.6 97.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -68.09 -38.24 82.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.22 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.11 -47.62 82.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -64.43 -43.17 95.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -48.13 -50.9 27.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.308 -0.87 . . . . 0.0 109.569 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.352 -0.843 . . . . 0.0 109.168 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.314 0.578 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -62.31 -45.42 93.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.252 -0.905 . . . . 0.0 109.867 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.43 -41.89 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.102 -0.999 . . . . 0.0 109.298 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.0 -40.4 97.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.296 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 68.8 mtp -64.75 -55.47 19.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -49.92 -37.15 30.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 108.763 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.45 -38.8 90.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -66.3 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.487 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -63.92 -38.56 91.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.0 109.484 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.16 -42.26 93.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.303 -0.873 . . . . 0.0 109.593 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' LYS . 91.3 mt -63.58 -68.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' ILE . 9.8 mtmp? -41.51 -42.28 2.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 47.9 tp10 -61.68 -46.84 88.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.05 -37.07 73.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.096 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.42 -42.41 95.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 109.106 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 21' ' ' GLU . 8.1 ttpm? -64.96 -43.93 91.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.382 -0.823 . . . . 0.0 109.485 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.53 -40.18 96.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.416 -0.802 . . . . 0.0 109.531 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.43 -35.46 73.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.123 -0.985 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -61.34 -44.32 97.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.107 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.36 -34.59 72.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.003 -1.061 . . . . 0.0 109.55 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.16 -45.63 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.161 -0.962 . . . . 0.0 108.769 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.89 -41.05 97.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 109.32 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.16 -35.63 71.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 109.242 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.26 -49.8 58.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 109.477 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.72 -36.67 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.792 -1.193 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.49 -45.47 83.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.45 -38.0 86.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.444 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.6 tt -65.07 -44.59 88.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 0.0 108.834 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -59.02 -43.22 91.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.943 . . . . 0.0 109.357 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' NE ' ' HZ1' ' A' ' 42' ' ' LYS . 45.5 ttt85 -62.73 -42.49 99.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 0.0 109.186 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.71 -44.62 95.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.0 -35.82 81.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.287 -0.883 . . . . 0.0 109.317 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -61.68 -48.17 82.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.889 . . . . 0.0 109.168 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HZ1' ' NE ' ' A' ' 38' ' ' ARG . 62.5 mttp -63.56 -43.92 95.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.232 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.71 -51.13 30.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.317 -0.864 . . . . 0.0 109.313 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -55.14 37.8 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.83 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 67.2 mt -60.41 -46.09 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 110.387 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.67 -42.9 75.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.951 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 28.4 mtt -66.41 -51.5 56.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.995 -1.066 . . . . 0.0 109.449 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.49 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -47.21 -39.93 15.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.914 . . . . 0.0 108.833 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.83 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 65.0 mmtt -67.74 -41.25 83.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.228 -0.92 . . . . 0.0 108.755 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -43.37 98.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.387 -0.82 . . . . 0.0 110.228 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.24 -35.56 79.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.063 -1.023 . . . . 0.0 109.898 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.98 -43.4 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.074 -1.016 . . . . 0.0 109.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' B' ' 20' ' ' LYS . 38.2 mm -66.86 -64.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 110.016 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' B' ' 19' ' ' ILE . 79.0 tttt -39.65 -43.17 1.31 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.536 -0.727 . . . . 0.0 110.097 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.62 -48.21 81.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.094 -1.004 . . . . 0.0 108.922 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.13 -33.54 74.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.85 -42.55 99.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.19 -40.77 94.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.95 -35.75 78.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.165 -0.959 . . . . 0.0 108.905 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.512 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.3 OUTLIER -59.89 -47.34 86.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -0.813 . . . . 0.0 108.971 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.0 p -62.37 -39.78 94.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.143 -0.973 . . . . 0.0 109.421 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.48 -39.07 88.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 109.412 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -62.47 -45.25 93.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -0.841 . . . . 0.0 108.976 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -59.59 -38.47 81.3 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.418 -0.801 . . . . 0.0 109.047 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.12 -39.22 89.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.421 -0.799 . . . . 0.0 109.243 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.91 -51.51 47.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.56 -37.88 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.852 -1.155 . . . . 0.0 109.11 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -66.79 -45.33 78.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 0.0 109.485 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.26 -40.3 97.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 0.0 109.26 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.74 -41.97 82.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.278 -0.889 . . . . 0.0 108.689 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -61.33 -44.8 96.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -0.839 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -64.09 -41.32 97.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.025 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -64.04 -40.3 96.0 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.4 -0.812 . . . . 0.0 109.174 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -62.97 -36.78 84.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 0.0 108.937 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -62.68 -50.65 70.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 109.15 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.62 -44.52 93.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.2 t -48.25 -45.26 34.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.301 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.277 -0.889 . . . . 0.0 108.988 179.627 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.134 0.492 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.57 -50.33 74.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.135 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.65 -38.96 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 0.0 109.374 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.92 -37.63 80.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.602 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.44 -54.97 11.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.53 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -48.24 -39.59 21.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.26 -0.9 . . . . 0.0 109.215 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -65.64 -43.78 88.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.338 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.5 -40.66 96.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.39 90.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.33 -42.61 96.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.027 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LEU . 96.7 mt -63.84 -67.25 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.377 -0.827 . . . . 0.0 109.72 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' ILE . 6.9 ttpm? -36.16 -44.88 0.41 Allowed 'General case' 0 N--CA 1.504 2.242 0 CA-C-O 121.125 0.488 . . . . 0.0 110.504 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -65.79 -44.28 86.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -0.921 . . . . 0.0 109.418 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.74 -37.88 85.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 108.945 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.78 -42.64 94.91 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.169 -0.957 . . . . 0.0 109.321 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.91 -42.63 89.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.245 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -65.45 -35.63 81.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.876 . . . . 0.0 109.113 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.6 -40.6 84.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.371 -0.83 . . . . 0.0 109.405 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 m -63.3 -43.09 98.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 0.0 109.169 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.41 -36.88 83.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.359 -0.838 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -63.5 -44.73 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.285 -0.884 . . . . 0.0 109.162 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.45 -40.03 89.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.49 -38.12 88.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.526 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -66.96 -48.63 67.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.1 mt -54.92 -33.89 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 120.865 -1.147 . . . . 0.0 108.942 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -68.82 -44.05 74.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 109.758 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -43.02 97.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.517 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.0 -42.04 81.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 109.272 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -61.74 -41.97 98.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.804 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.93 -36.72 84.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.905 . . . . 0.0 109.615 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.18 -50.57 73.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.52 -31.61 71.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 109.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.95 -49.55 75.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 109.225 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -63.75 -44.08 94.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.0 109.378 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -49.23 -45.55 44.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.681 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.21 -53.46 56.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.059 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.3 -41.63 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.025 . . . . 0.0 109.785 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 tp -55.73 -39.33 70.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.1 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.8 mmm -66.69 -49.07 67.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.146 -0.971 . . . . 0.0 109.148 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -52.21 -43.24 64.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -63.47 -44.51 94.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.112 -0.993 . . . . 0.0 109.855 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.72 -39.38 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.29 -39.68 94.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.57 -0.706 . . . . 0.0 109.535 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -62.06 -42.74 99.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.453 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 81.7 mt -66.05 -68.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.954 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 12.5 ttmm -40.58 -47.31 2.69 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.9 -44.3 94.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.211 -0.931 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 19' ' ' ILE . 15.2 tp -59.86 -35.65 75.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.184 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.63 -42.17 99.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.216 -0.927 . . . . 0.0 109.269 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -64.48 -42.56 95.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 109.074 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -65.47 -39.63 92.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.473 -0.767 . . . . 0.0 109.579 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.0 -37.53 84.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.2 -0.937 . . . . 0.0 109.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.9 t -63.02 -43.78 97.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 109.846 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.28 -39.8 89.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -64.06 -45.19 89.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.243 -0.911 . . . . 0.0 108.852 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.99 -39.22 84.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.436 -0.79 . . . . 0.0 109.048 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -36.94 79.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 0.0 109.2 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.57 -51.95 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.9 mt -52.76 -36.0 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.738 -1.226 . . . . 0.0 109.48 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.73 -43.96 78.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.0 109.637 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.76 -39.06 93.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.37 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.99 -44.47 80.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -59.58 -41.43 90.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.258 -0.901 . . . . 0.0 109.571 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -62.83 -42.0 99.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.986 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -59.89 -46.47 89.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.034 -1.041 . . . . 0.0 110.094 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.68 -34.31 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.084 -1.01 . . . . 0.0 109.841 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -58.67 -48.04 82.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.374 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.13 -43.92 73.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 t -46.78 -42.91 17.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 109.741 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.807 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -61.34 -44.59 96.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.997 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -69.48 -42.81 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.942 . . . . 0.0 110.049 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.0 tt -59.79 -37.09 78.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.21 -52.93 56.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.362 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.99 -43.36 63.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.071 -1.018 . . . . 0.0 108.796 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -64.98 -44.69 88.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.211 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.47 -38.61 87.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.378 -0.826 . . . . 0.0 109.791 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.08 -33.51 70.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -61.51 -45.84 92.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.328 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.0 mm -67.11 -63.37 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ILE . 78.9 tttt -38.49 -43.83 0.88 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.714 -0.616 . . . . 0.0 110.011 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.72 -47.38 78.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.06 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -59.92 -38.48 82.48 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -59.22 -39.41 82.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.202 -0.936 . . . . 0.0 108.995 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.46 -42.74 87.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -0.848 . . . . 0.0 109.549 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -67.77 -38.72 83.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.384 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -56.74 -47.53 79.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 108.614 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -61.46 -39.54 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.093 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -61.78 -44.58 96.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.71 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.96 -43.3 99.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.874 . . . . 0.0 109.727 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -56.11 -44.15 78.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.08 -1.012 . . . . 0.0 109.12 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 109.057 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.47 -54.7 17.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.88 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -34.51 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.744 -1.223 . . . . 0.0 109.071 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -66.86 -45.85 76.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.355 -0.841 . . . . 0.0 109.681 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -63.42 -40.69 97.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.0 109.693 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.27 -42.54 93.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 109.476 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -61.07 -41.14 96.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.064 -1.023 . . . . 0.0 109.548 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.6 -40.16 96.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.88 . . . . 0.0 109.689 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -60.24 -51.53 69.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -67.77 -32.25 72.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.071 -1.018 . . . . 0.0 109.489 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.97 -49.54 77.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.64 -44.39 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 0.0 109.403 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -48.28 -50.34 30.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.199 -0.938 . . . . 0.0 109.525 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -60.03 -45.53 92.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.671 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -66.72 -41.98 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.728 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.4 tt -60.66 -38.18 84.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.108 -0.995 . . . . 0.0 108.716 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.3 mtt -62.88 -54.41 39.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.595 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.61 -42.23 55.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -63.75 -42.58 97.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.141 -0.975 . . . . 0.0 109.29 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -65.43 -40.75 93.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.0 109.607 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -64.43 -38.86 92.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.194 -0.941 . . . . 0.0 109.36 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.06 -41.85 99.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' B' ' 20' ' ' LYS . 88.8 mt -66.66 -69.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.615 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 59.1 tttm -39.02 -41.38 0.77 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.702 -0.623 . . . . 0.0 109.879 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' B' ' 25' ' ' ARG . 83.9 tt0 -66.17 -46.34 77.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.878 . . . . 0.0 109.038 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 45.0 tp -61.08 -36.51 79.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.411 -0.806 . . . . 0.0 108.971 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.43 -40.22 95.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.17 -41.2 94.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.355 -0.84 . . . . 0.0 109.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' B' ' 21' ' ' GLU . 97.6 mtt180 -69.24 -36.33 77.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.283 -0.885 . . . . 0.0 109.265 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.494 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -62.04 -45.87 91.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 108.63 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.0 m -61.63 -40.35 94.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.291 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -65.75 -38.85 90.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.362 -0.836 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -63.41 -43.26 98.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.446 -0.784 . . . . 0.0 109.264 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -59.82 -42.53 93.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 108.808 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.22 -54.28 18.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.325 -0.859 . . . . 0.0 109.147 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.0 -35.82 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.833 -1.167 . . . . 0.0 109.098 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.11 -44.25 80.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.501 -0.749 . . . . 0.0 109.601 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.03 -38.45 91.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -68.66 -44.7 73.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 108.888 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.62 -43.41 98.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -63.32 -35.69 81.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.75 -52.61 59.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 109.701 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.53 -32.66 74.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -58.05 -47.31 83.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.96 . . . . 0.0 108.882 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -69.67 -43.26 72.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.217 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -47.48 -45.4 26.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.127 -0.983 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.609 -0.682 . . . . 0.0 109.198 179.531 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.247 0.546 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -59.08 -45.66 90.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.27 -0.894 . . . . 0.0 109.828 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mm -65.88 -40.98 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 109.878 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.6 -45.08 95.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.58 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.23 -51.62 65.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.21 -0.931 . . . . 0.0 109.305 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -50.83 -39.99 54.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 108.836 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -65.04 -41.56 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.072 -1.018 . . . . 0.0 109.491 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -66.74 -39.99 88.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -61.5 -42.43 98.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.039 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.6 HD13 ' NZ ' ' B' ' 15' ' ' LYS . 90.5 mt -66.76 -66.74 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.849 . . . . 0.0 109.68 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ILE . 20.0 tptp -39.51 -42.57 1.15 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.721 -0.612 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.92 -46.24 88.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.0 108.994 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ILE . 61.9 tp -60.98 -32.71 72.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.893 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -63.8 -43.83 95.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.377 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.4 -40.39 93.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.357 -0.839 . . . . 0.0 109.318 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.98 -46.69 87.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.324 -0.86 . . . . 0.0 108.964 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 m -64.03 -37.71 88.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.28 -0.888 . . . . 0.0 109.127 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -58.99 -49.16 78.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.93 -40.86 95.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.15 -0.968 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.62 -42.11 91.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.445 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.56 -38.52 91.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.422 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -67.97 -48.82 64.78 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.898 . . . . 0.0 109.004 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.55 -34.27 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.888 -1.132 . . . . 0.0 109.037 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.55 -42.94 81.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.99 -38.88 89.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.08 -41.86 94.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 109.16 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -62.89 -40.58 97.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.318 -0.864 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -62.07 -41.59 98.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -61.87 -47.61 84.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.762 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.91 -34.17 76.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.21 -0.931 . . . . 0.0 109.485 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -62.25 -50.91 69.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 109.367 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.14 -43.36 92.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.939 . . . . 0.0 109.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 t -48.42 -47.04 38.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -0.913 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.307 -0.871 . . . . 0.0 109.392 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.88 -46.39 90.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.519 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.48 -42.54 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.208 -0.932 . . . . 0.0 110.006 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.21 -42.7 91.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 109.71 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -65.44 -54.45 28.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -48.98 -37.26 19.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.6 ' NZ ' HD13 ' A' ' 19' ' ' ILE . 14.6 tptm -66.62 -40.8 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.659 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.96 -43.21 91.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.095 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -62.8 -37.34 86.34 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -0.844 . . . . 0.0 109.58 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.07 -45.21 89.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.281 -0.887 . . . . 0.0 109.802 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 22' ' ' LEU . 32.4 mm -67.27 -67.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 19' ' ' ILE . 77.8 tttt -40.28 -42.51 1.54 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.635 -0.665 . . . . 0.0 109.727 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.8 -44.96 95.82 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.491 HD11 HH21 ' B' ' 25' ' ' ARG . 63.6 tp -63.43 -34.11 77.04 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.52 -0.738 . . . . 0.0 109.246 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.34 -43.52 98.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 109.606 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -66.96 -37.76 84.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.491 HH21 HD11 ' B' ' 22' ' ' LEU . 61.9 ttp85 -67.99 -39.18 83.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.31 -0.869 . . . . 0.0 108.933 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.54 -41.52 92.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.387 -0.82 . . . . 0.0 109.079 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.0 p -65.02 -37.89 89.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.251 -0.906 . . . . 0.0 108.924 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.65 -39.86 73.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.11 -45.93 83.14 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -58.05 -38.73 76.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 108.498 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.96 -36.32 79.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.014 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -68.3 -52.34 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.316 -0.865 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mm -52.24 -35.79 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.821 -1.174 . . . . 0.0 108.668 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.13 -44.52 83.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.384 -0.823 . . . . 0.0 109.295 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.347 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.39 -43.16 86.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.893 . . . . 0.0 108.824 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.73 -44.01 90.34 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.376 -0.827 . . . . 0.0 109.178 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -62.63 -39.55 94.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.392 -0.817 . . . . 0.0 109.326 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -59.84 -44.34 94.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.79 -35.04 79.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.217 -0.927 . . . . 0.0 109.785 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.82 -50.68 72.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.992 . . . . 0.0 109.063 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.05 -43.42 87.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.169 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.29 -49.61 42.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.24 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.23 -47.38 83.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.29 -0.881 . . . . 0.0 110.02 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.3 -40.49 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.179 -0.951 . . . . 0.0 110.011 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.25 -43.84 93.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 109.813 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -61.96 -56.5 18.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.112 -0.992 . . . . 0.0 109.545 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.16 -35.42 26.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 109.098 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -62.58 -45.38 93.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.257 -0.902 . . . . 0.0 109.284 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -59.51 -37.24 77.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.26 -38.54 91.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.335 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -62.59 -45.22 93.88 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LYS . 13.2 mm -63.22 -70.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.082 -1.011 . . . . 0.0 109.651 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ILE . 64.5 tttm -39.17 -41.14 0.81 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.791 -0.568 . . . . 0.0 110.194 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.8 -47.45 75.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.057 -1.027 . . . . 0.0 109.011 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -57.16 -36.78 71.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.15 -44.21 96.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.941 . . . . 0.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -65.61 -40.51 92.7 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -64.72 -36.38 84.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.362 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.1 tt -69.33 -39.68 78.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.076 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -60.01 -43.12 95.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.121 -0.987 . . . . 0.0 109.291 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.12 -40.92 97.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.192 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -47.42 86.35 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.357 -0.839 . . . . 0.0 109.089 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -55.55 -42.4 74.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.19 -37.04 79.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.379 -0.826 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.42 -57.35 6.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 0.0 109.738 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.96 -33.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.714 -1.241 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -64.63 -44.52 90.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.36 -0.838 . . . . 0.0 109.548 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.46 -38.76 92.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.401 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.22 -44.37 84.02 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.327 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -58.76 -46.71 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.54 -42.71 95.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -63.97 -37.19 86.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -67.17 -38.94 86.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -62.48 -50.78 70.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.227 -0.921 . . . . 0.0 109.692 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -62.13 -43.24 99.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.9 t -49.27 -47.89 46.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.139 -0.976 . . . . 0.0 109.219 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.333 -0.854 . . . . 0.0 109.176 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.38 -47.79 82.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 109.773 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.03 -44.46 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.65 -40.51 92.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.177 -0.952 . . . . 0.0 109.317 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 65.0 mmm -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.77 -41.42 56.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.12 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -61.49 -42.63 99.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.15 -37.85 86.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.08 -36.99 86.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.21 -0.932 . . . . 0.0 109.525 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -63.94 -46.64 83.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 2.6 mp -65.43 -65.42 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 108.75 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 20' ' ' LYS . 6.4 ttpm? -40.3 -41.94 1.44 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.745 -0.597 . . . . 0.0 109.807 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.19 -47.34 74.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.134 -0.979 . . . . 0.0 108.891 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.03 -33.52 69.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 108.634 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.42 -41.76 93.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -66.2 -44.96 82.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.2 -0.937 . . . . 0.0 109.719 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -66.76 -35.19 79.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.88 -38.33 82.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.243 -0.911 . . . . 0.0 109.265 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -64.63 -40.26 95.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 109.583 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.18 -38.03 87.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.465 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -64.06 -42.97 96.83 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.32 -0.863 . . . . 0.0 109.112 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.26 -43.53 92.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.48 -38.34 77.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.267 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.43 -53.01 26.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.53 -36.34 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.82 -1.175 . . . . 0.0 109.553 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.215 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.58 -35.96 78.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.9 . . . . 0.0 109.5 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.21 -46.41 80.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.326 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.39 -39.62 93.83 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.211 -0.931 . . . . 0.0 109.564 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -63.56 -40.43 96.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.626 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -61.58 -46.58 89.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.232 -0.918 . . . . 0.0 109.546 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.92 -35.55 80.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.103 -0.998 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.06 -51.52 69.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.132 -0.98 . . . . 0.0 109.176 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -67.06 -41.38 86.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 108.91 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 t -44.23 -42.85 6.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.609 -0.682 . . . . 0.0 109.937 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.145 -0.972 . . . . 0.0 109.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -62.06 -45.08 95.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.872 . . . . 0.0 109.861 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 -42.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.05 -38.3 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.134 -0.979 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -64.21 -56.29 15.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.2 tt -48.99 -40.23 29.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 0.0 108.867 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -63.0 -42.12 99.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.265 -0.897 . . . . 0.0 109.014 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.74 -38.9 92.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.66 -35.44 80.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 0.0 109.45 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -63.76 -46.42 85.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 30.9 mm -66.58 -65.61 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.0 109.606 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 50.9 tttp -39.16 -43.42 1.07 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.756 -0.59 . . . . 0.0 110.212 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.44 -47.46 83.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.048 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 HH21 ' A' ' 25' ' ' ARG . 28.4 tp -62.63 -36.14 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.286 -0.884 . . . . 0.0 109.194 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -60.47 -40.81 92.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.251 -0.906 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -66.69 -40.71 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.348 -0.845 . . . . 0.0 109.141 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.547 HH21 HD13 ' A' ' 22' ' ' LEU . 33.0 ttp180 -66.65 -36.58 82.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 0.0 109.06 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -60.34 -46.55 89.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.389 -0.82 . . . . 0.0 108.854 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.55 -40.33 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.136 -0.977 . . . . 0.0 109.256 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.39 -41.07 96.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.0 109.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -63.81 -49.8 71.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 109.231 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -52.44 -40.06 61.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.75 -37.23 86.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 109.443 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.05 -50.92 60.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 109.811 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.26 -37.73 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.72 -1.238 . . . . 0.0 109.198 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -64.27 -45.08 89.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.53 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.03 -37.54 86.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.732 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.11 -42.22 94.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 0.0 108.987 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -62.08 -44.18 97.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -62.18 -40.8 97.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.905 . . . . 0.0 109.552 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -63.97 -41.2 97.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.873 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.2 tt -64.71 -36.29 83.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.884 . . . . 0.0 108.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -62.63 -51.08 68.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.767 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -61.13 -46.73 89.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.4 m -48.82 -47.59 42.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.14 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 109.527 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.188 0.518 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' B' ' 10' ' ' LYS . 8.7 mtmp? -62.65 -47.23 84.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.855 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.12 -45.26 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.63 -42.58 99.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.019 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mmm -60.11 -54.95 39.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.161 -0.962 . . . . 0.0 109.096 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.61 -38.58 46.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.299 -0.876 . . . . 0.0 109.095 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -66.18 -41.52 90.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.187 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -62.99 -37.64 87.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -66.87 -34.85 78.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.268 -0.895 . . . . 0.0 109.118 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -62.1 -47.5 84.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.9 mm -67.36 -65.1 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.247 -0.908 . . . . 0.0 109.648 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.4 tttt -39.68 -46.29 1.82 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.752 -0.592 . . . . 0.0 110.082 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.66 -46.47 90.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.142 -0.973 . . . . 0.0 108.804 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.35 -35.19 75.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.389 -0.819 . . . . 0.0 108.913 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.02 -39.71 93.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.34 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.94 -44.15 85.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.0 109.569 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.71 -36.66 81.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 0.0 109.273 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.44 -44.29 97.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.302 -0.873 . . . . 0.0 109.146 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -63.67 -38.03 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.177 -0.952 . . . . 0.0 108.994 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.5 -44.32 93.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.345 -0.847 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.24 -44.18 97.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -52.11 -48.76 64.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.98 -34.02 75.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.259 -0.901 . . . . 0.0 109.439 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.53 -55.44 11.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -49.82 -36.97 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.807 -1.183 . . . . 0.0 109.28 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.26 -43.86 85.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.75 -40.55 95.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.162 -0.961 . . . . 0.0 110.179 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.565 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.3 OUTLIER -67.6 -43.96 79.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 0.0 109.044 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -56.31 -45.46 80.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.03 -1.044 . . . . 0.0 109.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -63.97 -41.47 97.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.855 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.69 -48.59 78.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.948 . . . . 0.0 109.615 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.48 -33.08 74.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.889 . . . . 0.0 109.089 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' B' ' 41' ' ' HIS . 2.8 t-80 -63.77 -51.97 62.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -59.36 -48.38 81.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.208 -0.933 . . . . 0.0 109.458 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -48.92 -47.86 43.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 0.0 109.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 108.975 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.179 0.514 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -59.46 -46.29 89.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.436 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 mm -67.98 -43.12 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 109.473 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 tt -58.24 -43.53 87.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.176 -0.952 . . . . 0.0 108.792 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.35 -54.45 46.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.643 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -50.55 -44.74 56.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.149 -0.97 . . . . 0.0 108.905 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.22 -41.63 93.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.126 -0.984 . . . . 0.0 109.096 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -64.27 -40.19 95.49 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.353 -0.842 . . . . 0.0 109.593 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.73 -39.36 93.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -60.96 -43.09 99.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.267 -0.896 . . . . 0.0 109.157 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 93.3 mt -64.19 -71.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.78 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ILE . 90.4 mttt -39.36 -39.47 0.66 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.782 -0.574 . . . . 0.0 110.383 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.49 -47.97 81.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.951 -1.093 . . . . 0.0 108.865 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.81 -36.07 81.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.918 . . . . 0.0 108.582 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -59.8 -42.09 92.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.551 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -66.21 -41.31 90.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -66.04 -38.07 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.332 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.719 HD11 ' HZ1' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -64.57 -42.87 95.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 109.06 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -63.12 -42.67 99.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.967 . . . . 0.0 109.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.78 -40.22 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.282 -0.886 . . . . 0.0 109.783 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -63.26 -42.29 99.15 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.088 -1.008 . . . . 0.0 109.134 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.06 -41.6 88.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.064 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 109.224 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.5 -49.55 66.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.496 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.2 -38.12 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.81 -1.181 . . . . 0.0 109.586 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.29 -44.88 82.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.085 -1.009 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.35 -41.91 90.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.22 -42.93 88.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 108.931 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.59 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.993 . . . . 0.0 110.043 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -61.39 -38.74 88.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.171 -0.955 . . . . 0.0 109.43 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.87 -47.24 84.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.98 -36.02 83.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.743 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.56 -45.8 88.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.175 -0.953 . . . . 0.0 108.677 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -66.43 -46.43 76.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 0.0 109.253 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 t -48.24 -51.54 25.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 109.787 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 109.653 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.145 0.497 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.51 -46.45 86.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.01 . . . . 0.0 109.73 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.54 -40.77 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.866 . . . . 0.0 109.41 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.78 -44.74 96.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.0 108.765 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.68 -54.28 41.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.614 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.526 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -50.93 -41.87 59.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.028 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -62.81 -41.86 99.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.451 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.85 -39.1 87.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.453 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -59.53 -41.36 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -63.91 -43.31 96.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.41 -0.806 . . . . 0.0 109.166 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 22' ' ' LEU . 97.1 mt -63.2 -70.85 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 0.0 109.554 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 62.7 mttm -39.61 -44.75 1.52 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.732 -0.605 . . . . 0.0 109.996 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -63.23 -44.54 94.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.171 -0.955 . . . . 0.0 109.0 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tp -60.77 -37.44 81.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.838 . . . . 0.0 109.292 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.26 -42.65 98.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.199 -0.938 . . . . 0.0 109.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -67.05 -41.37 86.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 0.0 109.4 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.81 -36.48 82.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.678 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.26 -40.28 90.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.943 . . . . 0.0 109.444 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -67.26 -37.76 84.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.641 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.719 ' HZ1' HD11 ' A' ' 26' ' ' LEU . 36.4 ttmt -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.093 -1.004 . . . . 0.0 108.981 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.21 -38.68 84.09 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.333 -0.854 . . . . 0.0 108.785 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.44 -38.37 83.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -67.1 -54.59 19.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.151 -0.968 . . . . 0.0 109.554 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -52.7 -33.34 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.734 -1.229 . . . . 0.0 108.799 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.96 -43.5 87.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.02 -42.48 99.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 109.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.607 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -65.85 -46.15 79.56 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -51.98 -49.02 64.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.143 -0.973 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -65.74 -39.92 91.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 109.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.58 -48.28 81.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 109.875 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.66 -35.01 79.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 0.0 109.524 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' GLN . 59.2 t-80 -60.9 -47.9 84.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 108.973 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -67.55 -44.95 77.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.281 -0.887 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.62 -44.21 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' HIS . 2.7 pt20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 109.679 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -63.35 -45.57 90.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.417 -0.802 . . . . 0.0 109.903 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.26 -43.9 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 109.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.2 tt -60.1 -41.15 91.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 mmt -57.21 -51.6 68.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.069 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -51.69 -41.39 61.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 108.76 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.79 -42.2 91.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.58 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -65.21 -42.59 93.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.347 -0.846 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.98 -40.41 95.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.4 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -62.1 -42.43 99.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -0.861 . . . . 0.0 109.406 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -64.18 -70.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.893 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ILE . 61.1 tttm -40.0 -44.87 1.81 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.622 -0.674 . . . . 0.0 110.128 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 41.9 tt0 -62.41 -45.73 91.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.121 -0.987 . . . . 0.0 108.871 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.59 -33.56 68.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.449 -0.782 . . . . 0.0 108.938 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.83 -41.68 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -64.27 -43.01 96.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.137 -0.977 . . . . 0.0 110.181 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 21' ' ' GLU . 85.8 mtt180 -66.9 -39.86 87.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.036 . . . . 0.0 109.225 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.51 -38.73 87.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.468 -0.77 . . . . 0.0 109.603 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.8 p -64.64 -37.66 88.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.91 -40.95 91.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.278 -0.889 . . . . 0.0 109.638 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -63.6 -40.54 97.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.16 -40.33 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.959 . . . . 0.0 109.651 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.6 -39.32 93.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 109.384 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -67.32 -49.49 63.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.28 -0.887 . . . . 0.0 109.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.3 mt -53.54 -35.97 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.914 -1.116 . . . . 0.0 109.211 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -65.96 -44.17 85.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.436 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.97 -35.92 81.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.0 109.949 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.65 -42.16 91.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.82 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -63.69 -42.1 98.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.162 -0.961 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -62.86 -41.92 99.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.035 -1.04 . . . . 0.0 108.876 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -42.5 99.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.417 -0.802 . . . . 0.0 109.185 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -60.97 -37.72 83.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.477 -0.764 . . . . 0.0 109.259 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -60.46 -46.3 90.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.049 -1.032 . . . . 0.0 108.926 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.25 -42.72 93.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.383 -0.823 . . . . 0.0 109.516 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.9 m -53.03 -53.08 55.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 110.421 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.188 -179.123 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -58.93 -46.21 88.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 0.0 109.802 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.916 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 63.8 mmm -61.11 -52.86 63.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.83 -39.23 58.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 109.358 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.32 -42.47 96.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.977 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -65.09 -42.41 94.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 109.817 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.11 -35.8 81.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 0.0 109.509 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.59 -44.01 95.3 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.242 -0.911 . . . . 0.0 109.149 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' B' ' 20' ' ' LYS . 95.9 mt -62.76 -68.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 0.0 109.685 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.2 ttpp -39.84 -41.39 1.13 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.702 -0.624 . . . . 0.0 110.019 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.41 -47.02 87.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.938 . . . . 0.0 109.048 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.93 -32.48 69.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.154 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -63.31 -46.09 88.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 109.374 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.12 -41.56 81.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.192 -0.943 . . . . 0.0 109.718 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -65.78 -38.12 88.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 0.0 109.724 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.95 -39.89 83.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.451 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.3 -40.28 93.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.77 -37.51 84.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.405 -0.809 . . . . 0.0 109.391 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.87 -52.52 62.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.309 -0.869 . . . . 0.0 109.333 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.28 -38.16 70.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.224 -0.923 . . . . 0.0 109.143 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.38 -36.9 79.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.423 -0.798 . . . . 0.0 109.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.38 -56.04 9.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.516 ' N ' HD12 ' B' ' 33' ' ' ILE . 2.0 mp -53.4 -31.06 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.51 -1.369 . . . . 0.0 108.092 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -67.87 -47.35 69.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.408 -0.808 . . . . 0.0 109.095 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.71 -42.8 97.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.801 . . . . 0.0 109.802 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.73 -38.38 83.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.898 . . . . 0.0 109.433 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.69 -43.28 94.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.499 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -65.03 -42.44 94.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -61.74 -39.38 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.955 . . . . 0.0 109.255 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -69.72 -37.01 76.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 108.907 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -61.58 -47.59 84.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.938 . . . . 0.0 109.705 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -62.65 -43.54 98.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.247 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.58 -50.09 43.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 0.0 109.444 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.301 0.572 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -62.73 -42.98 99.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.12 -0.988 . . . . 0.0 110.07 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -66.13 -46.47 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.494 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.586 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.42 -41.79 98.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.144 -0.973 . . . . 0.0 109.146 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.65 -55.82 26.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.991 -1.068 . . . . 0.0 109.26 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.6 tt -47.74 -39.95 19.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 0.0 108.702 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -65.88 -39.33 90.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.65 -39.11 92.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -65.79 -36.05 82.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.28 -0.887 . . . . 0.0 109.091 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.9 -45.51 94.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.506 -0.746 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.6 mm -66.61 -64.89 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.945 . . . . 0.0 109.875 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ILE . 3.2 ttmp? -37.3 -43.5 0.54 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.761 -0.587 . . . . 0.0 110.137 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.1 -44.99 87.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.214 -0.929 . . . . 0.0 108.792 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.527 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.12 -37.38 82.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.87 -42.55 98.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.06 -1.025 . . . . 0.0 109.164 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -69.0 -40.02 78.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.278 -0.889 . . . . 0.0 109.518 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -65.71 -38.33 88.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.296 -0.877 . . . . 0.0 109.261 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.34 -41.45 93.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.906 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -61.8 -40.13 94.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.19 -41.67 99.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.911 . . . . 0.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.81 -48.35 80.98 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -53.23 -44.53 68.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 0.0 109.403 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.52 -35.75 76.74 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.225 -0.922 . . . . 0.0 109.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.97 -52.5 35.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.0 109.971 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' B' ' 33' ' ' ILE . 18.0 mm -53.14 -35.89 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.69 -1.256 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -65.04 -46.7 80.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -67.38 -37.52 83.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.504 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -66.51 -44.29 82.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.306 -0.871 . . . . 0.0 109.17 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -59.54 -41.66 90.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.53 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -63.95 -38.86 92.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.0 109.778 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -62.03 -46.75 87.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.196 -0.94 . . . . 0.0 109.858 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.67 -33.5 75.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.074 -1.016 . . . . 0.0 109.637 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.94 -51.49 67.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 109.229 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.15 -43.54 94.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.235 -0.915 . . . . 0.0 109.31 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.9 m -48.58 -47.05 39.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.126 0.489 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.63 -54.19 49.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.225 -0.922 . . . . 0.0 110.203 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.84 -37.27 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.023 -1.048 . . . . 0.0 109.377 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.94 -42.11 84.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 0.0 109.106 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 41.5 mtt -69.59 -51.93 30.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 109.106 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.08 -43.8 41.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.209 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.99 -44.85 95.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.19 -0.944 . . . . 0.0 108.563 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.79 -41.23 86.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.13 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -64.08 -41.2 97.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.389 -0.819 . . . . 0.0 110.263 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.25 -48.74 80.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.165 -0.959 . . . . 0.0 109.914 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' B' ' 20' ' ' LYS . 1.4 mp -63.29 -65.47 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.995 . . . . 0.0 109.439 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.9 tttt -36.6 -45.99 0.55 Allowed 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.194 0.521 . . . . 0.0 110.602 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -60.46 -47.98 83.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 108.706 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 19' ' ' ILE . 34.7 tp -58.5 -34.94 71.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.457 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -61.87 -45.59 93.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 109.946 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -68.46 -39.17 81.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.932 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -66.41 -36.97 84.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.181 -0.95 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.09 -40.02 86.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.584 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -63.53 -41.55 98.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.12 -38.75 86.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.536 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.7 -46.62 81.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.227 -0.921 . . . . 0.0 108.99 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -55.79 -40.8 73.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.005 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.26 -34.11 76.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.0 108.952 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.67 -52.62 24.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' A' ' 33' ' ' ILE . 23.3 mm -56.08 -33.44 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.14 -42.56 84.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.41 -37.14 84.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.547 ' O ' HD23 ' B' ' 36' ' ' LEU . 1.2 tt -67.42 -42.98 82.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 108.781 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -43.22 95.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.195 -0.94 . . . . 0.0 109.351 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.98 -41.67 95.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.339 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.3 -41.05 98.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.275 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.64 -37.49 84.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.373 -0.83 . . . . 0.0 109.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.75 -47.52 85.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.228 -0.92 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -69.21 -42.09 76.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.339 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 t -47.68 -43.75 26.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.743 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 0.0 109.408 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.33 -46.4 88.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.907 . . . . 0.0 109.82 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.26 -41.36 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.807 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 tt -61.49 -44.16 97.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 108.906 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mmm -59.02 -52.44 65.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.85 -40.27 55.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 15.1 mtpp -64.33 -39.98 94.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.163 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.04 -41.14 91.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.426 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.13 -40.08 96.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.294 -0.879 . . . . 0.0 109.468 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -62.38 -42.63 99.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.41 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.9 mt -64.92 -69.77 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.66 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.6 ttpp -40.63 -44.62 2.17 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 109.918 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.83 -46.13 89.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 108.816 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.07 -37.06 78.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.071 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -63.74 -40.42 96.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.741 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.23 -41.44 94.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -66.43 -34.14 77.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.919 . . . . 0.0 109.037 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.26 -39.81 86.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 108.899 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.1 t -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.17 -0.956 . . . . 0.0 109.328 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.24 -38.36 90.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.11 -44.85 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -56.76 -42.63 79.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.85 -38.82 89.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.71 -50.38 62.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.06 -37.75 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.74 -42.57 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 0.0 109.307 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -62.23 -42.6 99.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.55 -46.94 71.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.286 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -57.29 -43.34 83.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -0.938 . . . . 0.0 109.497 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.76 -38.03 88.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -60.0 -45.04 94.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 109.764 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -35.09 77.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.118 -0.989 . . . . 0.0 109.636 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.0 -50.46 74.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -68.08 -46.27 71.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.53 -49.02 27.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.478 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 109.487 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -60.98 -44.03 97.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.045 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.78 -41.98 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 109.712 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.33 -38.55 87.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.124 -0.985 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 13.4 mmt -64.77 -55.22 21.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.89 -41.95 46.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.299 -0.876 . . . . 0.0 108.932 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.464 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 32.6 ttmt -63.37 -41.41 98.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.191 -0.943 . . . . 0.0 109.338 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -65.91 -39.22 90.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -0.946 . . . . 0.0 109.405 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.87 -37.6 88.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.091 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -63.21 -43.29 98.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.299 -0.876 . . . . 0.0 109.152 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 85.2 mt -65.75 -71.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.0 tptp -41.02 -42.7 1.98 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.578 -0.701 . . . . 0.0 109.624 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.07 -46.18 88.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.953 . . . . 0.0 108.566 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 6.3 tt -58.11 -37.77 75.21 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.01 -44.45 92.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.918 . . . . 0.0 109.32 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -67.15 -37.23 83.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 108.905 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.65 -42.45 95.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.7 p -65.81 -37.81 87.27 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.901 . . . . 0.0 108.976 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.65 -44.15 91.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.412 -0.805 . . . . 0.0 109.053 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -60.89 -38.63 86.34 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.3 -38.64 87.54 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.457 -0.777 . . . . 0.0 109.297 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.5 -38.83 92.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -68.42 -56.94 6.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.22 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -51.29 -36.33 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.866 -1.146 . . . . 0.0 109.057 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.63 -42.55 86.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.363 -0.836 . . . . 0.0 109.489 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.67 -41.07 98.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.486 -0.759 . . . . 0.0 109.918 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.33 -38.84 88.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.141 -0.974 . . . . 0.0 108.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -56.99 -46.46 82.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.214 -0.929 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -66.67 -41.82 87.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -60.09 -39.43 86.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 108.766 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.18 -36.81 77.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.267 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.14 -47.23 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.132 -0.98 . . . . 0.0 109.874 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.61 -46.48 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 109.699 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 2.0 p -48.35 -41.94 30.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.982 -1.074 . . . . 0.0 109.497 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 4.3 tp-100 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.263 -0.898 . . . . 0.0 109.145 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.272 0.558 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.93 -45.87 91.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.861 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -67.63 -40.23 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 109.787 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.8 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.51 -53.96 49.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 0.0 109.48 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -48.48 -42.31 32.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.157 -0.964 . . . . 0.0 109.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.12 -41.36 97.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -64.04 -39.47 94.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.661 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.47 -38.16 90.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.188 -0.945 . . . . 0.0 109.556 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -63.46 -46.39 86.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 34.1 mm -67.65 -64.63 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.103 -0.998 . . . . 0.0 109.513 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ILE . 19.8 tptm -39.64 -45.92 1.74 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.648 -0.657 . . . . 0.0 109.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.71 -46.15 86.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 0.0 109.106 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.33 -36.86 78.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.862 . . . . 0.0 109.269 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.23 -40.05 94.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.99 -42.4 94.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 0.0 109.259 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -66.45 -36.03 81.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.06 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 -42.39 98.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.362 -0.836 . . . . 0.0 109.013 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.3 m -64.62 -38.82 92.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.925 . . . . 0.0 109.201 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -64.31 -42.69 96.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.03 -41.09 91.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 108.943 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.23 -43.09 99.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.437 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.04 -38.16 90.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.118 -0.989 . . . . 0.0 109.956 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.31 -49.53 69.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.047 -1.033 . . . . 0.0 108.963 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -52.98 -34.69 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.915 -1.116 . . . . 0.0 108.315 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -65.25 -43.93 89.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.264 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -64.73 -42.93 94.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.366 -0.834 . . . . 0.0 109.669 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.91 -42.21 98.82 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.56 -43.31 99.1 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.512 -0.742 . . . . 0.0 109.023 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -32.9 72.65 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.566 -0.708 . . . . 0.0 109.473 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.26 -55.53 10.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.63 -35.33 79.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.942 -1.099 . . . . 0.0 109.485 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -61.2 -49.61 76.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.943 -1.098 . . . . 0.0 108.766 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -63.37 -49.24 74.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 109.378 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.86 -43.07 28.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 109.939 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.083 -1.011 . . . . 0.0 109.926 -179.635 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -0.918 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.7 ' N ' HD12 ' B' ' 11' ' ' ILE . 2.0 mp -65.43 -41.13 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 0.0 109.483 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.79 -38.76 89.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mtp -63.23 -55.22 26.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.95 . . . . 0.0 109.648 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.96 -38.36 50.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -63.34 -43.2 98.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.303 -0.873 . . . . 0.0 109.52 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.21 -40.23 90.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.23 -0.919 . . . . 0.0 109.774 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.19 -38.2 90.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 109.468 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.93 -43.37 96.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.48 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.8 mt -64.08 -69.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.774 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.8 ttpt -39.32 -43.13 1.12 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.73 -0.606 . . . . 0.0 110.199 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.63 -47.34 86.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -0.953 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.59 -34.62 71.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.129 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -63.55 -42.78 98.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.613 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -66.16 -42.67 88.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.872 . . . . 0.0 109.715 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.99 -37.68 86.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 109.294 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.69 -38.31 86.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' SER . . . . . 0.421 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.7 m -65.02 -42.21 94.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.549 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.81 -40.55 97.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.336 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -63.06 -42.07 99.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.299 -0.876 . . . . 0.0 108.863 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.88 -40.32 79.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.24 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -64.11 -35.2 79.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 0.0 109.028 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -67.2 -58.86 4.06 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.616 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 33' ' ' ILE . 1.4 mp -53.58 -31.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.688 -1.258 . . . . 0.0 108.651 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.0 -46.27 78.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.17 -37.66 88.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.128 -0.982 . . . . 0.0 109.082 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.38 -44.83 82.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -63.99 -42.43 97.21 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.411 -0.805 . . . . 0.0 109.697 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -62.66 -42.72 99.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 109.908 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.95 -42.06 97.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.501 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.34 -35.25 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.59 -45.6 93.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 0.0 109.334 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.95 -46.04 75.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.61 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.4 m -48.13 -46.96 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 0.0 109.552 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 109.4 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.221 0.534 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -64.46 -45.84 85.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.36 -43.32 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.241 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.89 -41.59 98.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.175 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.54 -54.7 24.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.38 -37.09 35.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 108.731 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -63.4 -42.96 98.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.339 -0.851 . . . . 0.0 108.714 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -63.21 -38.19 90.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -63.21 -38.59 91.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.221 -0.925 . . . . 0.0 109.374 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.79 -48.86 77.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 109.827 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 26.8 mm -66.37 -65.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.16 -0.963 . . . . 0.0 109.877 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 77.7 tttt -39.41 -40.24 0.78 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.601 -0.687 . . . . 0.0 110.066 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' OE2' ' NE ' ' A' ' 25' ' ' ARG . 14.5 tm-20 -63.79 -48.87 75.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.09 -36.03 78.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 0.0 109.46 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -62.35 -41.96 99.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -65.64 -41.77 92.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' ' OE2' ' A' ' 21' ' ' GLU . 93.2 mtt180 -65.5 -33.71 76.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.871 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.3 -45.64 93.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 108.807 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -61.04 -41.96 97.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.03 -39.32 93.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.363 -0.835 . . . . 0.0 109.725 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -64.22 -43.54 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 109.09 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.61 -42.17 82.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.412 -0.805 . . . . 0.0 109.089 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -62.94 -36.7 84.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.253 -0.905 . . . . 0.0 108.835 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.99 -51.83 42.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 109.475 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -54.01 -36.41 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.863 -1.148 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.86 -42.49 77.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.167 -0.958 . . . . 0.0 109.716 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.16 -39.09 93.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.16 -0.963 . . . . 0.0 109.21 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.44 -40.12 89.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.263 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.81 -46.3 90.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -63.59 -42.14 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.11 -0.994 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.61 -39.09 83.08 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.216 -0.927 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.71 -36.2 81.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.01 -50.38 72.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.439 -0.788 . . . . 0.0 109.32 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -65.86 -42.59 90.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.262 -0.899 . . . . 0.0 109.267 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -47.12 -52.28 15.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.266 -0.896 . . . . 0.0 109.365 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.049 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.15 -45.68 92.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 109.841 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.91 -42.68 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 109.776 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.1 tt -60.13 -43.12 95.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 109.244 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -53.66 52.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.111 -0.993 . . . . 0.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.202 -0.936 . . . . 0.0 109.232 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.84 -47.32 86.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.247 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.55 -36.75 83.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.213 -0.929 . . . . 0.0 109.139 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -59.85 -42.48 93.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.092 -1.005 . . . . 0.0 109.196 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -61.76 -48.9 78.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.8 mm -67.23 -65.25 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -0.944 . . . . 0.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 19' ' ' ILE . 37.4 tttp -37.13 -45.89 0.65 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -62.77 -48.53 78.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.169 -0.957 . . . . 0.0 108.831 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 19' ' ' ILE . 58.7 tp -60.58 -33.5 72.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 0.0 109.275 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.397 -0.814 . . . . 0.0 109.515 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -65.24 -40.66 94.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.312 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt-85 -68.04 -34.29 76.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.325 -0.859 . . . . 0.0 109.006 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.495 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -60.23 -47.62 85.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.423 -0.798 . . . . 0.0 109.015 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.9 p -63.67 -39.46 94.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.006 . . . . 0.0 109.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.85 -40.69 97.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.928 . . . . 0.0 109.626 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -63.9 -44.85 91.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.0 109.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -55.18 -39.98 70.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 0.0 108.722 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.77 -38.63 91.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.504 -0.748 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.18 -54.21 16.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.272 -0.893 . . . . 0.0 109.762 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.76 -35.04 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.863 -1.148 . . . . 0.0 109.455 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.5 -41.52 88.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.54 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -65.99 -35.53 80.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -65.92 -43.7 87.37 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -56.93 -47.08 81.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.624 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -63.03 -40.67 98.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.163 -0.961 . . . . 0.0 109.713 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.95 -42.09 93.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.183 -0.948 . . . . 0.0 109.586 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.569 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -65.99 -37.16 85.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.354 -179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.87 -47.36 86.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.987 -1.071 . . . . 0.0 109.304 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.87 -45.95 73.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 109.458 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' B' ' 44' ' ' GLN . 92.2 m -48.32 -44.54 34.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' CYS . 51.6 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.769 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.05 -43.3 95.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.08 -46.21 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.362 -0.836 . . . . 0.0 109.959 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.61 -44.3 96.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 109.033 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 mtt -58.4 -52.74 64.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 109.123 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.94 -41.54 59.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.22 -40.51 96.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.882 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -66.14 -37.17 85.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.875 . . . . 0.0 109.184 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.8 -44.57 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.548 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.28 -43.02 99.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.243 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' LEU . 95.7 mt -65.16 -68.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.291 -0.881 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.9 tttm -40.85 -42.29 1.78 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.642 -0.661 . . . . 0.0 109.572 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.45 -45.21 91.88 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.2 tt -59.56 -37.86 79.57 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.44 -40.95 98.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.59 -45.6 86.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -65.81 -37.58 86.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 0.0 109.102 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.161 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 m -62.7 -40.65 97.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 0.0 109.662 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -66.58 -38.73 87.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.0 109.515 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HZ1' HD11 ' A' ' 33' ' ' ILE . 17.3 tptp -61.39 -50.4 73.0 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.283 -0.886 . . . . 0.0 108.798 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -52.38 -45.82 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.103 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.03 -34.78 66.19 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.68 -53.81 12.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.513 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.561 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 12.2 mm -55.19 -36.3 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.751 -1.218 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.38 -43.3 86.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.886 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -67.39 -37.16 82.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.905 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -64.52 -44.56 90.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.893 . . . . 0.0 108.738 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.33 -41.08 92.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.0 109.429 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -61.74 -40.3 94.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.371 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.47 -46.48 88.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.54 -34.86 78.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.85 -49.42 74.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.139 -0.975 . . . . 0.0 109.204 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.67 -45.69 74.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.366 -0.834 . . . . 0.0 109.459 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -47.44 -46.24 26.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.382 -0.824 . . . . 0.0 109.698 -179.847 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -59.49 -46.39 88.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.53 -40.57 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.561 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.52 ' O ' HD13 ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.82 -39.9 93.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.303 -0.873 . . . . 0.0 109.128 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 66.0 mmm -66.77 -58.0 5.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.979 . . . . 0.0 109.641 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 tp -48.14 -41.56 27.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.385 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.62 -42.27 98.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.339 -0.851 . . . . 0.0 109.119 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.74 -38.0 86.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.845 . . . . 0.0 109.421 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -63.33 -36.34 83.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.81 -46.11 83.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 109.328 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 22' ' ' LEU . 2.1 mp -66.94 -69.29 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.078 -1.014 . . . . 0.0 109.319 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.6 ttpp -38.31 -42.51 0.72 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.665 -0.647 . . . . 0.0 110.363 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.89 -46.28 85.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.0 108.823 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' ILE . 57.6 tp -61.31 -36.4 80.02 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 108.971 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.15 -38.36 86.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 108.97 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.11 -39.96 90.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 0.0 109.287 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -70.47 -38.82 74.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.448 ' O ' HD23 ' B' ' 26' ' ' LEU . 2.5 tt -59.27 -47.09 86.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 108.839 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.1 p -63.29 -37.98 89.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.087 -1.008 . . . . 0.0 109.016 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -64.84 -40.39 95.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.4 -0.812 . . . . 0.0 109.109 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -63.83 -44.5 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -38.82 84.38 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.254 -0.904 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.36 -39.64 91.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.347 -0.845 . . . . 0.0 109.314 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -70.63 -49.73 44.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.128 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.423 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 97.6 mt -51.35 -38.23 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.829 -1.169 . . . . 0.0 108.966 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -68.54 -43.33 76.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.469 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -64.72 -38.31 90.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.275 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.557 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.3 OUTLIER -66.6 -44.36 82.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -60.3 -42.17 94.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.67 HH12 ' NZ ' ' B' ' 42' ' ' LYS . 70.6 ttt-85 -60.79 -41.47 95.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -62.93 -42.14 99.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.777 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.02 -37.34 83.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 0.0 109.778 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.82 -54.0 41.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.204 -0.935 . . . . 0.0 109.694 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.67 ' NZ ' HH12 ' B' ' 38' ' ' ARG . 49.6 mtmt -60.24 -45.4 93.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 t -48.78 -43.19 37.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.225 -0.922 . . . . 0.0 109.287 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.444 -0.785 . . . . 0.0 109.412 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.169 0.509 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.03 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.461 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.5 mt -68.41 -39.77 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.144 -0.972 . . . . 0.0 109.836 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.56 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 0.0 109.011 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmt -60.17 -54.69 42.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.126 -0.984 . . . . 0.0 109.206 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.52 -34.96 27.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -62.65 -44.37 96.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.851 . . . . 0.0 108.839 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -65.36 -39.29 92.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.871 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.22 -43.31 92.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.251 -0.906 . . . . 0.0 109.406 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.9 -44.0 91.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 108.937 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -62.16 -70.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 76.1 tttt -40.04 -46.27 2.09 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.754 -0.591 . . . . 0.0 109.965 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.7 -46.4 85.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.986 -1.071 . . . . 0.0 109.317 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.2 -37.04 69.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.245 -0.909 . . . . 0.0 108.586 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.31 -40.35 97.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.482 -0.761 . . . . 0.0 109.206 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.68 -45.81 77.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 109.954 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -63.06 -36.5 83.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.089 -1.007 . . . . 0.0 109.42 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.31 -38.62 88.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.034 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.7 p -64.1 -39.73 94.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.58 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.62 -40.43 88.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 109.75 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -66.3 -45.66 79.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.626 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.65 -38.91 82.71 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.145 -0.972 . . . . 0.0 109.17 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.08 -38.58 91.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.883 . . . . 0.0 109.277 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.25 -48.86 69.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.208 -0.933 . . . . 0.0 109.385 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.3 mt -55.49 -34.38 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.858 -1.151 . . . . 0.0 109.012 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -65.04 -44.72 88.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.26 -45.2 81.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.382 -0.824 . . . . 0.0 108.999 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -59.87 -41.63 91.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.744 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.66 -39.41 93.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 109.634 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.81 -46.74 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.729 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.2 -33.17 75.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.938 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.13 -49.84 74.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.441 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.71 -44.05 94.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.332 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.36 -48.98 36.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.359 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 109.335 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.29 -49.41 76.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.37 -0.831 . . . . 0.0 110.095 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.51 -47.27 86.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.174 -0.954 . . . . 0.0 109.721 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.9 mtt -63.83 -55.39 23.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.06 -1.025 . . . . 0.0 109.556 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.68 -37.11 49.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.215 -0.928 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.69 -46.3 90.31 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -61.46 -35.21 76.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 108.91 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -59.35 -43.91 92.73 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.449 -0.782 . . . . 0.0 109.089 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.14 -43.42 98.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.652 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' B' ' 22' ' ' LEU . 25.8 mm -62.32 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.041 . . . . 0.0 109.715 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.8 mtpp -37.66 -40.51 0.42 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.749 -0.594 . . . . 0.0 110.579 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -63.23 -47.08 83.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.901 -1.124 . . . . 0.0 108.779 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 19' ' ' ILE . 61.9 tp -61.05 -34.21 74.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -61.56 -42.45 98.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.396 -0.815 . . . . 0.0 109.399 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -69.84 -40.67 75.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.278 -0.889 . . . . 0.0 109.695 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -67.73 -35.1 78.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.195 -0.941 . . . . 0.0 109.242 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.546 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.3 OUTLIER -65.38 -43.77 89.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 108.76 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.7 t -60.14 -41.14 92.09 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.92 -37.7 79.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.367 -0.833 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -65.97 -47.17 75.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.25 -0.907 . . . . 0.0 108.968 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -57.84 -43.21 85.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 108.979 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.23 -33.73 71.35 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 108.798 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.26 -53.7 27.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.402 -0.811 . . . . 0.0 109.673 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.564 ' H ' HD12 ' B' ' 33' ' ' ILE . 2.7 mp -52.39 -35.85 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.75 -1.219 . . . . 0.0 108.561 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.76 -43.74 92.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.433 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.06 -39.16 92.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.932 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.49 ' O ' HD13 ' B' ' 36' ' ' LEU . 0.2 OUTLIER -67.55 -45.19 76.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 108.659 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -56.86 -47.68 79.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 108.911 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -61.72 -41.88 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.55 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -63.14 -41.85 99.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.568 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.58 -36.93 85.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.56 -50.77 70.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.253 -0.904 . . . . 0.0 109.436 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.69 -41.42 88.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' B' ' 44' ' ' GLN . 17.3 t -51.01 -42.16 60.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 109.899 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' B' ' 43' ' ' CYS . 21.9 pt20 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.695 -0.628 . . . . 0.0 110.456 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -57.1 -50.78 71.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.134 -0.979 . . . . 0.0 109.678 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -37.41 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.7 tt -60.9 -36.47 79.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.242 -0.911 . . . . 0.0 109.338 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 mtt -72.93 -50.29 24.4 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.848 -1.157 . . . . 0.0 109.689 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.5 -49.93 66.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.141 -0.974 . . . . 0.0 110.23 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HB2' ' HZ3' ' A' ' 15' ' ' LYS . 9.9 ptmm? -62.4 -38.31 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.725 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.81 -36.07 78.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.208 -0.932 . . . . 0.0 108.941 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.49 -37.51 87.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.346 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -62.83 -44.38 96.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 109.635 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 18.9 mm -66.83 -68.36 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.092 -1.005 . . . . 0.0 109.719 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ILE . 44.6 mttp -40.97 -44.62 2.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.637 -0.664 . . . . 0.0 109.776 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.35 -44.95 96.31 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.64 -36.7 79.31 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.529 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.82 -42.74 98.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 109.349 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.0 -41.4 95.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -68.52 -35.18 77.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.965 . . . . 0.0 109.28 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.56 -42.78 86.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.347 -0.846 . . . . 0.0 109.246 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 m -63.2 -38.68 92.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.952 . . . . 0.0 108.955 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -62.51 -40.42 96.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.398 -0.814 . . . . 0.0 109.125 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.51 -41.6 98.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.831 . . . . 0.0 109.359 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.07 -44.35 87.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.153 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.65 -38.59 89.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.875 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.7 -49.14 69.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.315 -0.866 . . . . 0.0 109.013 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -56.08 -34.58 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.858 -1.151 . . . . 0.0 108.944 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.96 -44.75 88.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.62 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -66.47 -37.2 84.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.184 -0.947 . . . . 0.0 109.27 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -67.18 -46.79 72.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -61.38 -42.33 98.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.196 -0.94 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -61.69 -42.87 99.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.1 -40.82 97.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 0.0 109.402 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.15 -37.57 87.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -60.57 -49.98 75.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.29 -45.69 90.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 0.0 109.121 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.8 m -48.64 -50.15 34.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.562 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.636 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -58.69 -48.12 82.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.724 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -39.65 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.629 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.26 -44.27 97.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.951 . . . . 0.0 108.96 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 72.5 mtp -63.27 -52.59 61.43 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.84 -37.88 45.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.425 -0.797 . . . . 0.0 108.85 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -64.97 -42.5 94.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 0.0 109.071 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.21 -40.62 90.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.364 -0.835 . . . . 0.0 109.306 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.91 -41.63 92.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.823 . . . . 0.0 109.192 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.93 -42.15 97.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.372 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 22' ' ' LEU . 96.6 mt -64.6 -70.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.697 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 17.8 tptp -39.05 -39.77 0.6 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.781 -0.575 . . . . 0.0 109.891 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.93 -44.8 84.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 108.986 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 19' ' ' ILE . 47.0 tp -62.5 -38.59 90.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.415 -0.803 . . . . 0.0 109.404 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -39.47 94.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.201 -0.937 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.99 -42.56 84.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.407 -0.808 . . . . 0.0 109.723 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -67.39 -36.26 80.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.154 -0.966 . . . . 0.0 109.25 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.92 -39.4 94.09 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.328 -0.858 . . . . 0.0 109.087 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.2 p -64.11 -41.03 97.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.277 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.401 -0.812 . . . . 0.0 109.746 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.51 -40.54 97.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.987 -1.071 . . . . 0.0 108.781 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -55.85 -43.66 77.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.34 -0.85 . . . . 0.0 108.943 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.05 -34.67 78.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.889 . . . . 0.0 109.177 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.85 -53.19 28.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.365 -0.834 . . . . 0.0 109.524 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mm -54.33 -36.79 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.817 -1.177 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.33 -47.26 80.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 109.51 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -65.66 -37.89 87.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.55 -46.6 75.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 108.901 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -59.81 -41.7 91.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.207 -0.933 . . . . 0.0 108.785 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -62.48 -36.45 82.53 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.567 -0.708 . . . . 0.0 109.242 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -64.63 -50.38 67.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.531 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.85 -34.14 76.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.158 -0.964 . . . . 0.0 109.711 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -60.9 -53.53 56.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.965 -1.084 . . . . 0.0 109.554 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.02 -39.56 83.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.442 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.71 -45.23 39.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.0 109.403 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 0.0 108.825 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -63.3 -45.83 89.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 mm -69.7 -42.99 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.786 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.82 -41.33 99.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 108.969 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 mmt -67.81 -56.41 9.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 108.918 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.06 -36.32 18.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' NZ ' ' CD1' ' B' ' 19' ' ' ILE . 54.8 tttm -65.65 -39.36 91.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.26 -37.84 88.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.39 -0.819 . . . . 0.0 109.012 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -63.01 -37.96 89.28 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.34 -0.85 . . . . 0.0 108.835 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -63.19 -42.29 99.32 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.362 -0.836 . . . . 0.0 109.023 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 85.9 mt -63.7 -73.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 109.762 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.7 ttpt -40.23 -42.39 1.49 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.595 -0.69 . . . . 0.0 110.001 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.52 -45.41 93.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.934 . . . . 0.0 108.806 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.22 -36.68 82.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.505 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.79 -40.06 87.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.946 . . . . 0.0 109.602 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -67.33 -39.59 85.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.64 -45.26 94.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.239 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -62.68 -38.84 91.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.47 -40.46 95.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -62.37 -42.61 99.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.54 -41.94 91.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.31 -36.89 83.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 109.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.34 -53.26 20.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.0 109.702 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.69 -34.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.843 -1.161 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.03 -42.94 88.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.43 -37.55 85.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -42.89 87.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 109.048 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.09 -43.31 95.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 109.752 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -63.51 -40.74 97.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.513 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.05 -41.09 97.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.54 -37.87 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.877 . . . . 0.0 109.341 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.2 -48.33 82.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 109.321 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 15.9 mtpp -63.19 -44.12 96.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.1 m -48.69 -50.26 34.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.297 -0.877 . . . . 0.0 109.412 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.081 0.467 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.22 -50.89 63.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.477 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.26 -42.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.872 . . . . 0.0 109.723 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.59 -43.47 76.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 108.614 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mmt -62.51 -50.43 71.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.345 -0.847 . . . . 0.0 108.863 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 14' ' ' LEU . 1.1 tt -51.81 -40.6 60.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -65.91 -43.87 86.89 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -65.54 -40.54 93.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.044 -1.035 . . . . 0.0 110.126 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.74 -38.49 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.983 -1.073 . . . . 0.0 109.497 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.2 -45.94 91.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.896 . . . . 0.0 109.177 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 66.5 mt -67.08 -63.85 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.41 -0.806 . . . . 0.0 109.847 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tttp -39.17 -43.89 1.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.364 0.602 . . . . 0.0 109.883 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.61 -46.23 89.23 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' ILE . 59.3 tp -58.7 -36.86 74.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.462 -0.774 . . . . 0.0 109.192 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.36 -43.35 99.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.42 -41.86 88.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.26 -0.9 . . . . 0.0 109.757 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -68.1 -35.65 78.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.175 -0.953 . . . . 0.0 109.423 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.514 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -61.98 -44.36 96.89 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.171 -0.956 . . . . 0.0 108.723 179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -61.47 -41.57 97.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.069 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.16 -40.5 94.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -61.25 -48.3 82.07 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.294 -0.879 . . . . 0.0 109.071 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -57.94 -39.17 77.4 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.523 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.21 -38.78 80.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -67.51 -50.49 58.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 109.614 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.73 -38.07 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.554 -1.341 . . . . 0.0 109.067 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.13 -46.15 74.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.741 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.7 -39.7 94.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 0.0 109.582 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.6 -42.62 82.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.88 . . . . 0.0 109.056 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -61.67 -42.89 99.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.193 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -62.47 -40.23 95.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.311 -0.868 . . . . 0.0 108.94 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -65.7 -41.82 91.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.19 -36.62 83.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 0.0 109.177 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -62.52 -47.15 85.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.102 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.75 -45.68 92.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.896 . . . . 0.0 109.22 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 80.6 m -49.9 -49.97 47.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.27 -0.894 . . . . 0.0 109.201 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.432 -0.792 . . . . 0.0 109.385 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.29 0.567 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.88 -48.31 81.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.11 -40.3 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.949 . . . . 0.0 109.877 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 12' ' ' LEU . 4.0 tt -61.29 -46.78 88.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.122 -0.986 . . . . 0.0 108.936 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.23 -56.03 26.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.08 -1.013 . . . . 0.0 109.396 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -50.96 -37.67 45.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 108.999 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -62.31 -42.15 99.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.825 . . . . 0.0 108.98 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.08 -37.18 85.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -0.857 . . . . 0.0 109.086 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -63.58 -38.26 90.47 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.845 . . . . 0.0 109.035 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -63.85 -43.87 94.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.373 -0.83 . . . . 0.0 109.11 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LEU . 98.3 mt -62.88 -71.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.264 -0.898 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 49.5 tttp -40.26 -40.93 1.23 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.728 -0.607 . . . . 0.0 109.914 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.21 -46.72 87.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 0.0 108.729 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 40.9 tp -60.08 -35.14 74.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.415 -0.803 . . . . 0.0 109.129 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.59 -40.89 98.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.85 -45.07 83.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 109.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -68.13 -36.77 80.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -0.968 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.02 -40.92 95.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.31 -0.869 . . . . 0.0 109.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 m -64.49 -38.35 90.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.417 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.69 -42.17 95.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HZ3' HD11 ' B' ' 26' ' ' LEU . 33.6 ttpt -62.32 -43.05 99.72 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.225 -0.922 . . . . 0.0 108.994 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.81 -40.34 83.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.318 -0.864 . . . . 0.0 109.138 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.073 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -70.5 -57.24 4.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' B' ' 33' ' ' ILE . 26.9 mm -54.81 -32.3 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.75 -1.219 . . . . 0.0 109.14 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -67.92 -41.86 81.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -0.849 . . . . 0.0 109.607 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -66.7 -38.27 86.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 109.69 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.07 -41.56 86.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.929 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -63.1 -41.96 99.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -63.57 -39.61 94.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.592 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.47 -32.5 74.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.579 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -63.45 -50.24 70.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.207 -0.933 . . . . 0.0 109.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.51 -44.83 95.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 0.0 109.214 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -49.74 -49.69 47.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.489 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.246 0.546 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -58.82 -45.65 89.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 0.0 109.739 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.43 -40.24 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.263 -0.898 . . . . 0.0 109.643 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.0 OUTLIER -61.54 -44.0 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.189 -0.944 . . . . 0.0 108.83 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mmm -62.54 -53.1 59.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.116 -0.99 . . . . 0.0 109.271 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -50.49 -41.32 53.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.233 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.3 -40.75 96.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -65.29 -37.73 88.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.53 -40.25 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.242 -0.911 . . . . 0.0 109.598 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -63.34 -43.3 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.7 mt -64.67 -69.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 0.0 109.773 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.9 ttmt -39.96 -43.55 1.55 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.665 -0.647 . . . . 0.0 110.013 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.09 -46.51 90.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -58.66 -36.55 74.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.858 . . . . 0.0 108.831 179.721 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -62.29 -42.2 99.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.31 -43.84 89.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.262 -0.899 . . . . 0.0 109.834 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.12 -35.65 81.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 109.068 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.462 HD11 ' HZ3' ' A' ' 29' ' ' LYS . 7.9 tp -65.31 -41.12 94.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.166 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -62.08 -41.09 97.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.208 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.0 -40.83 91.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.36 -0.837 . . . . 0.0 109.46 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.41 -44.43 96.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.258 -0.901 . . . . 0.0 108.924 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.68 -39.71 81.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.402 -0.811 . . . . 0.0 109.186 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 0.0 109.17 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.19 -53.58 23.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.679 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' A' ' 33' ' ' ILE . 23.8 mm -56.17 -35.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.807 -1.183 . . . . 0.0 109.563 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -65.59 -44.42 86.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 0.0 109.689 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.51 -37.51 86.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.26 -0.9 . . . . 0.0 109.669 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.44 -42.58 87.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.202 -0.936 . . . . 0.0 109.094 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -59.09 -43.8 91.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.305 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.49 -35.98 82.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.249 -0.907 . . . . 0.0 108.732 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.32 -51.57 67.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.96 -32.04 73.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 109.177 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.67 -47.33 82.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 108.985 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.85 -44.01 82.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.193 -0.942 . . . . 0.0 109.429 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.3 m -50.2 -53.35 28.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 N--CA 1.496 1.834 0 O-C-N 121.355 -0.841 . . . . 0.0 109.526 -179.529 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.84 -46.29 84.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.11 -41.35 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.976 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.99 -43.6 98.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.114 -0.991 . . . . 0.0 108.85 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -63.88 -54.09 40.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.105 -0.997 . . . . 0.0 108.92 179.575 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -50.2 -38.02 37.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.162 -0.961 . . . . 0.0 108.855 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.11 -41.34 97.29 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 108.983 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.56 -39.9 92.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.67 -37.8 88.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.306 -0.871 . . . . 0.0 109.261 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -61.34 -48.28 82.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 108.954 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 74.3 mt -63.97 -66.02 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.201 -0.937 . . . . 0.0 110.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.2 ttpp -39.07 -42.87 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.722 -0.611 . . . . 0.0 110.156 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.78 -46.92 83.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -0.982 . . . . 0.0 109.028 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.85 -35.86 79.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.374 -0.829 . . . . 0.0 109.167 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.64 -39.48 93.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -66.13 -42.9 88.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.842 . . . . 0.0 109.69 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -67.1 -34.68 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 109.44 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -63.75 -43.21 97.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 108.779 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -62.31 -40.91 97.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -37.89 88.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 0.0 109.594 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.21 -44.39 95.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -58.68 -43.74 90.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.204 -0.935 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -58.87 -36.47 74.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.869 . . . . 0.0 109.052 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.47 -54.85 12.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.57 -34.65 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.88 -1.138 . . . . 0.0 108.906 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -66.28 -46.92 75.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.359 -0.838 . . . . 0.0 109.59 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.76 -38.45 86.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.4 -39.1 88.81 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.272 -0.892 . . . . 0.0 108.735 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.31 -44.65 92.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.479 -0.763 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -64.13 -36.25 83.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -63.5 -46.28 86.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.01 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.99 -34.85 79.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.985 -1.072 . . . . 0.0 109.592 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.46 -49.31 78.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -65.28 -44.38 88.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.602 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.1 m -48.11 -47.67 34.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 0.0 109.561 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 109.756 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.45 -46.39 88.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.343 -0.848 . . . . 0.0 109.67 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.53 -40.17 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.82 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.533 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.2 tt -61.16 -43.31 99.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 109.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.96 -54.13 46.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.141 -0.975 . . . . 0.0 109.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.534 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.35 -39.59 32.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 109.004 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.07 -44.32 96.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 20' ' ' LYS . 84.5 tt0 -62.35 -38.53 89.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.77 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -65.14 -36.29 83.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -63.2 -46.51 86.72 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.353 -0.842 . . . . 0.0 109.77 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' B' ' 22' ' ' LEU . 29.9 mm -66.99 -67.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 109.934 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 16' ' ' GLU . 93.7 mttt -39.57 -40.47 0.88 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.616 -0.677 . . . . 0.0 110.031 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.41 -46.88 84.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 0.0 108.668 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' ILE . 53.7 tp -63.38 -35.03 79.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.358 -0.838 . . . . 0.0 109.119 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -61.3 -40.45 94.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 0.0 109.148 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.95 -40.3 87.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.341 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -67.09 -38.54 85.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.519 ' O ' HD13 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -63.7 -41.67 98.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 108.92 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -63.13 -41.51 99.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 109.461 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -63.04 -39.67 95.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.327 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -64.81 -41.69 95.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.326 -0.859 . . . . 0.0 109.114 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.11 -47.36 75.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 108.86 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -32.3 73.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.34 -0.85 . . . . 0.0 108.931 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -68.95 -53.04 23.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.726 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.78 -35.5 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.909 -1.12 . . . . 0.0 109.652 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.02 -43.17 79.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.048 . . . . 0.0 109.724 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.29 -40.24 93.41 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.185 -0.947 . . . . 0.0 109.171 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 tp -67.1 -43.56 82.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 109.222 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -63.52 -44.33 94.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.164 -0.96 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.84 -41.01 94.97 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -58.98 -42.95 91.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 108.99 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.62 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER -63.89 -38.97 93.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 0.0 108.98 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -58.86 -50.48 73.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -0.917 . . . . 0.0 108.722 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -64.36 -46.79 81.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.49 -0.756 . . . . 0.0 109.657 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' B' ' 44' ' ' GLN . 12.7 t -51.31 -52.2 47.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.086 -1.008 . . . . 0.0 108.95 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' B' ' 43' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.495 -0.753 . . . . 0.0 109.514 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -60.46 -44.89 95.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.4 -42.49 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 109.945 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.03 -47.34 86.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 108.562 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.65 -52.88 58.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.064 -1.023 . . . . 0.0 108.999 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.26 -36.21 40.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 108.906 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.72 -41.57 99.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 108.881 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.05 -40.43 97.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.322 -0.861 . . . . 0.0 109.378 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.38 -37.87 80.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.303 -0.873 . . . . 0.0 109.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -42.96 99.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.092 -1.005 . . . . 0.0 109.168 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 85.5 mt -65.64 -69.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.418 -0.802 . . . . 0.0 109.986 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 54.9 mtpt -40.89 -46.88 2.86 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.614 -0.679 . . . . 0.0 110.26 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.18 -44.8 95.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.999 -1.063 . . . . 0.0 109.031 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.13 -35.7 71.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -62.98 -40.86 99.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.0 109.315 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -65.05 -42.89 93.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 0.0 109.714 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -68.02 -38.23 82.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.36 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 108.951 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.3 p -64.08 -37.93 89.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 109.326 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -65.92 -40.7 91.7 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -63.98 -43.8 94.64 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.319 -0.863 . . . . 0.0 109.076 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -57.84 -42.75 85.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.169 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.23 -35.88 80.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.314 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -67.29 -52.21 43.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.271 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.52 -36.28 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.865 -1.147 . . . . 0.0 109.109 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.16 -43.24 74.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 109.89 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.27 -42.79 96.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.753 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.61 -42.03 92.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 108.509 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.58 -41.33 94.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.331 -0.856 . . . . 0.0 109.281 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -39.63 91.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.34 -50.44 73.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.264 -0.898 . . . . 0.0 109.473 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mm? -67.05 -33.46 75.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.324 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.81 -48.83 78.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -64.5 -43.91 92.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.466 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.1 m -48.78 -50.17 35.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.27 -0.894 . . . . 0.0 109.548 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.153 0.501 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -49.76 -58.36 5.5 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.927 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.38 -37.29 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.388 -0.82 . . . . 0.0 110.426 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.73 -43.84 94.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.106 -0.996 . . . . 0.0 110.051 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 82.6 mmm -68.32 -51.38 45.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.928 -1.107 . . . . 0.0 109.292 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.523 HD23 ' O ' ' B' ' 14' ' ' LEU . 1.2 tt -48.51 -45.24 36.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.194 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -62.73 -40.06 96.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 0.0 109.407 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.39 -37.73 87.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.342 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.14 -36.46 79.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.377 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -63.41 -43.08 98.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.124 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' B' ' 20' ' ' LYS . 84.3 mt -66.94 -68.02 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.305 -0.872 . . . . 0.0 109.325 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 19' ' ' ILE . 50.2 tttp -40.68 -45.03 2.29 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.706 -0.621 . . . . 0.0 109.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -59.36 -46.51 88.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 108.782 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -61.07 -37.06 81.31 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.08 -40.48 85.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.163 -0.961 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -66.76 -45.25 79.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.726 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -65.71 -36.42 83.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.062 -1.024 . . . . 0.0 109.392 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.62 -42.03 99.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.245 -0.91 . . . . 0.0 109.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.3 p -65.54 -38.51 89.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.163 -0.96 . . . . 0.0 109.586 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 109.822 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.68 95.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.558 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -55.96 -49.05 74.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 109.182 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.64 -36.44 78.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.286 -0.884 . . . . 0.0 109.826 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.72 -49.84 60.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.618 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.77 -33.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.766 -1.209 . . . . 0.0 108.944 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.9 -42.92 84.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.852 . . . . 0.0 109.504 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -64.55 -38.23 90.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.885 . . . . 0.0 109.734 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.96 -42.37 90.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -63.01 -42.13 99.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.313 -0.867 . . . . 0.0 109.448 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.41 ' HE ' ' NZ ' ' B' ' 42' ' ' LYS . 79.3 ttt180 -61.01 -41.78 97.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 109.7 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.68 -44.82 96.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.0 109.579 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.673 ' O ' HD23 ' B' ' 40' ' ' LEU . 2.9 tt -61.23 -38.36 86.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.03 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -50.13 74.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 0.0 110.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.41 ' NZ ' ' HE ' ' B' ' 38' ' ' ARG . 30.0 mmtm -68.29 -47.26 68.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.123 -0.986 . . . . 0.0 110.239 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 7.3 p -47.79 -43.87 28.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.031 -1.043 . . . . 0.0 109.623 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.574 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 15.3 tm0? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -58.43 -45.97 87.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.392 -0.818 . . . . 0.0 109.569 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.15 -45.94 78.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.314 -0.866 . . . . 0.0 110.194 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.49 -40.97 75.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.948 -1.095 . . . . 0.0 108.775 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.3 mtp -59.05 -50.19 75.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 0.0 108.534 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -55.29 -40.54 71.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 109.76 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -63.45 -42.76 98.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.085 -1.009 . . . . 0.0 109.632 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -64.28 -39.31 93.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.24 -37.23 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 108.87 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -62.09 -49.41 76.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.767 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . 89.5 mt -63.36 -67.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.6 tttm -39.02 -41.44 0.78 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.251 0.548 . . . . 0.0 109.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 25' ' ' ARG . 69.2 tt0 -63.17 -49.58 73.74 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' ILE . 60.7 tp -58.99 -35.48 73.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.801 . . . . 0.0 108.912 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.93 -39.56 93.69 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.404 -0.81 . . . . 0.0 109.762 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -64.54 -45.46 87.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 109.553 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 21' ' ' GLU . 96.3 mtt180 -67.62 -35.07 78.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.478 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.52 -40.91 85.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.872 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.3 t -61.69 -42.24 98.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.94 -38.4 90.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.0 109.403 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -65.25 -44.92 86.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.062 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.16 -45.13 71.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.306 -0.871 . . . . 0.0 109.232 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.42 -31.21 72.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.117 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -69.16 -58.12 4.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' B' ' 33' ' ' ILE . 22.7 mm -55.99 -31.44 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.79 -1.194 . . . . 0.0 109.085 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.83 -42.57 94.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.31 -0.869 . . . . 0.0 109.249 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.49 -37.13 84.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.567 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.31 -45.18 81.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.323 -0.86 . . . . 0.0 108.955 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.8 -43.26 90.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.939 . . . . 0.0 109.396 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -63.07 -38.46 91.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 109.47 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.59 -47.39 85.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 109.751 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.83 -34.01 77.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.155 -0.965 . . . . 0.0 109.77 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.51 -48.54 80.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.154 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.19 -44.57 91.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.322 -0.861 . . . . 0.0 109.533 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.0 t -49.41 -49.73 43.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.704 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.371 0.605 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.54 -42.62 99.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 0.0 109.763 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.55 -43.2 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.516 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.511 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -59.51 -41.97 91.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 108.643 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -59.52 -50.8 72.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.075 -1.016 . . . . 0.0 109.23 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 14' ' ' LEU . 1.2 tt -50.15 -43.18 51.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.415 -0.803 . . . . 0.0 109.248 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -60.47 -46.14 91.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -63.48 -40.0 95.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.16 -0.962 . . . . 0.0 109.182 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -62.66 -40.63 97.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.829 . . . . 0.0 109.604 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.97 -42.89 99.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' B' ' 20' ' ' LYS . 76.6 mt -64.72 -68.16 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 0.0 109.966 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 19' ' ' ILE . 65.2 tttm -40.31 -46.22 2.28 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.748 -0.595 . . . . 0.0 110.143 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -60.09 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 0.0 108.856 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -60.61 -36.62 79.02 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -59.22 -42.09 90.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -68.01 -40.9 82.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.131 -0.98 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -67.08 -37.98 84.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.59 -39.14 84.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -0.83 . . . . 0.0 109.175 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 99.1 p -64.01 -39.82 94.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.141 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.08 -38.14 87.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -64.38 -46.2 84.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.221 -0.925 . . . . 0.0 108.936 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -54.6 -41.69 70.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 0.0 108.971 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.37 -33.44 75.97 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.307 -0.87 . . . . 0.0 109.453 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -71.42 -53.67 13.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.185 -0.947 . . . . 0.0 109.672 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' A' ' 33' ' ' ILE . 26.0 mm -55.11 -32.71 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.71 -1.244 . . . . 0.0 108.756 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -67.77 -41.95 82.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -65.1 -38.56 91.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.211 -0.931 . . . . 0.0 109.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -41.84 88.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.861 . . . . 0.0 108.724 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.04 -45.33 87.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -64.45 -40.93 96.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.0 109.415 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -61.46 -41.6 97.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.534 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -68.09 -38.24 82.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.22 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.11 -47.62 82.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -64.43 -43.17 95.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -48.13 -50.9 27.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.308 -0.87 . . . . 0.0 109.569 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.352 -0.843 . . . . 0.0 109.168 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.314 0.578 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -62.31 -45.42 93.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.252 -0.905 . . . . 0.0 109.867 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.43 -41.89 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.102 -0.999 . . . . 0.0 109.298 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.0 -40.4 97.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.296 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 68.8 mtp -64.75 -55.47 19.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -49.92 -37.15 30.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 108.763 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.45 -38.8 90.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -66.3 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.487 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -63.92 -38.56 91.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.0 109.484 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.16 -42.26 93.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.303 -0.873 . . . . 0.0 109.593 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' LYS . 91.3 mt -63.58 -68.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' ILE . 9.8 mtmp? -41.51 -42.28 2.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 47.9 tp10 -61.68 -46.84 88.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.05 -37.07 73.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.096 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.42 -42.41 95.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 109.106 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 21' ' ' GLU . 8.1 ttpm? -64.96 -43.93 91.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.382 -0.823 . . . . 0.0 109.485 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.53 -40.18 96.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.416 -0.802 . . . . 0.0 109.531 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.43 -35.46 73.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.123 -0.985 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -61.34 -44.32 97.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.107 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.36 -34.59 72.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.003 -1.061 . . . . 0.0 109.55 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.16 -45.63 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.161 -0.962 . . . . 0.0 108.769 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.89 -41.05 97.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 109.32 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.16 -35.63 71.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 109.242 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.26 -49.8 58.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 109.477 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.72 -36.67 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.792 -1.193 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.49 -45.47 83.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.45 -38.0 86.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.444 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.6 tt -65.07 -44.59 88.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 0.0 108.834 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -59.02 -43.22 91.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.943 . . . . 0.0 109.357 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' NE ' ' HZ1' ' A' ' 42' ' ' LYS . 45.5 ttt85 -62.73 -42.49 99.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 0.0 109.186 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.71 -44.62 95.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.0 -35.82 81.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.287 -0.883 . . . . 0.0 109.317 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -61.68 -48.17 82.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.889 . . . . 0.0 109.168 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HZ1' ' NE ' ' A' ' 38' ' ' ARG . 62.5 mttp -63.56 -43.92 95.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.232 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.71 -51.13 30.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.317 -0.864 . . . . 0.0 109.313 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -55.14 37.8 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.83 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 67.2 mt -60.41 -46.09 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 110.387 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.67 -42.9 75.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.951 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 28.4 mtt -66.41 -51.5 56.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.995 -1.066 . . . . 0.0 109.449 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -47.21 -39.93 15.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.914 . . . . 0.0 108.833 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.83 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 65.0 mmtt -67.74 -41.25 83.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.228 -0.92 . . . . 0.0 108.755 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -43.37 98.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.387 -0.82 . . . . 0.0 110.228 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.24 -35.56 79.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.063 -1.023 . . . . 0.0 109.898 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.98 -43.4 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.074 -1.016 . . . . 0.0 109.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' B' ' 20' ' ' LYS . 38.2 mm -66.86 -64.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 110.016 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' B' ' 19' ' ' ILE . 79.0 tttt -39.65 -43.17 1.31 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.536 -0.727 . . . . 0.0 110.097 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.62 -48.21 81.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.094 -1.004 . . . . 0.0 108.922 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.13 -33.54 74.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.85 -42.55 99.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.19 -40.77 94.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.95 -35.75 78.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.165 -0.959 . . . . 0.0 108.905 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -59.89 -47.34 86.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -0.813 . . . . 0.0 108.971 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.0 p -62.37 -39.78 94.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.143 -0.973 . . . . 0.0 109.421 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.48 -39.07 88.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 109.412 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -62.47 -45.25 93.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -0.841 . . . . 0.0 108.976 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -59.59 -38.47 81.3 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.418 -0.801 . . . . 0.0 109.047 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.12 -39.22 89.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.421 -0.799 . . . . 0.0 109.243 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.91 -51.51 47.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.56 -37.88 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.852 -1.155 . . . . 0.0 109.11 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.79 -45.33 78.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 0.0 109.485 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.26 -40.3 97.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 0.0 109.26 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.74 -41.97 82.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.278 -0.889 . . . . 0.0 108.689 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -61.33 -44.8 96.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -0.839 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -64.09 -41.32 97.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.025 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -64.04 -40.3 96.0 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.4 -0.812 . . . . 0.0 109.174 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -62.97 -36.78 84.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 0.0 108.937 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -62.68 -50.65 70.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 109.15 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.62 -44.52 93.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.2 t -48.25 -45.26 34.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.301 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.277 -0.889 . . . . 0.0 108.988 179.627 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.134 0.492 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.57 -50.33 74.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.135 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.65 -38.96 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 0.0 109.374 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.92 -37.63 80.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.602 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.44 -54.97 11.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.53 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -48.24 -39.59 21.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.26 -0.9 . . . . 0.0 109.215 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -65.64 -43.78 88.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.338 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.5 -40.66 96.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.39 90.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.33 -42.61 96.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.027 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LEU . 96.7 mt -63.84 -67.25 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.377 -0.827 . . . . 0.0 109.72 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' ILE . 6.9 ttpm? -36.16 -44.88 0.41 Allowed 'General case' 0 N--CA 1.504 2.242 0 CA-C-O 121.125 0.488 . . . . 0.0 110.504 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -65.79 -44.28 86.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -0.921 . . . . 0.0 109.418 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.74 -37.88 85.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 108.945 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.78 -42.64 94.91 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.169 -0.957 . . . . 0.0 109.321 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.91 -42.63 89.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.245 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -65.45 -35.63 81.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.876 . . . . 0.0 109.113 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.6 -40.6 84.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.371 -0.83 . . . . 0.0 109.405 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 m -63.3 -43.09 98.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 0.0 109.169 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.41 -36.88 83.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.359 -0.838 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -63.5 -44.73 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.285 -0.884 . . . . 0.0 109.162 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.45 -40.03 89.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.49 -38.12 88.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.526 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -66.96 -48.63 67.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.1 mt -54.92 -33.89 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 120.865 -1.147 . . . . 0.0 108.942 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -68.82 -44.05 74.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 109.758 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -43.02 97.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.517 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.0 -42.04 81.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 109.272 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -61.74 -41.97 98.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.804 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.93 -36.72 84.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.905 . . . . 0.0 109.615 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.18 -50.57 73.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.52 -31.61 71.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 109.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.95 -49.55 75.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 109.225 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -63.75 -44.08 94.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.0 109.378 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -49.23 -45.55 44.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.681 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.21 -53.46 56.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.059 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.3 -41.63 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.025 . . . . 0.0 109.785 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 tp -55.73 -39.33 70.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.1 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.8 mmm -66.69 -49.07 67.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.146 -0.971 . . . . 0.0 109.148 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -52.21 -43.24 64.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -63.47 -44.51 94.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.112 -0.993 . . . . 0.0 109.855 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.72 -39.38 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.29 -39.68 94.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.57 -0.706 . . . . 0.0 109.535 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -62.06 -42.74 99.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.453 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 81.7 mt -66.05 -68.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.954 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 12.5 ttmm -40.58 -47.31 2.69 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.9 -44.3 94.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.211 -0.931 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 19' ' ' ILE . 15.2 tp -59.86 -35.65 75.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.184 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.63 -42.17 99.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.216 -0.927 . . . . 0.0 109.269 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -64.48 -42.56 95.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 109.074 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -65.47 -39.63 92.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.473 -0.767 . . . . 0.0 109.579 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.0 -37.53 84.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.2 -0.937 . . . . 0.0 109.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.9 t -63.02 -43.78 97.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 109.846 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.28 -39.8 89.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -64.06 -45.19 89.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.243 -0.911 . . . . 0.0 108.852 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.99 -39.22 84.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.436 -0.79 . . . . 0.0 109.048 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -36.94 79.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 0.0 109.2 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.57 -51.95 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.9 mt -52.76 -36.0 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.738 -1.226 . . . . 0.0 109.48 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.73 -43.96 78.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.0 109.637 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.76 -39.06 93.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.37 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.99 -44.47 80.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -59.58 -41.43 90.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.258 -0.901 . . . . 0.0 109.571 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -62.83 -42.0 99.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.986 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -59.89 -46.47 89.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.034 -1.041 . . . . 0.0 110.094 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.68 -34.31 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.084 -1.01 . . . . 0.0 109.841 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -58.67 -48.04 82.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.374 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.13 -43.92 73.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 t -46.78 -42.91 17.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 109.741 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.807 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -61.34 -44.59 96.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.997 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -69.48 -42.81 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.942 . . . . 0.0 110.049 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.0 tt -59.79 -37.09 78.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.21 -52.93 56.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.362 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.99 -43.36 63.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.071 -1.018 . . . . 0.0 108.796 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -64.98 -44.69 88.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.211 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.47 -38.61 87.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.378 -0.826 . . . . 0.0 109.791 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.08 -33.51 70.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -61.51 -45.84 92.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.328 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.0 mm -67.11 -63.37 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ILE . 78.9 tttt -38.49 -43.83 0.88 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.714 -0.616 . . . . 0.0 110.011 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.72 -47.38 78.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.06 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -59.92 -38.48 82.48 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -59.22 -39.41 82.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.202 -0.936 . . . . 0.0 108.995 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.46 -42.74 87.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -0.848 . . . . 0.0 109.549 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -67.77 -38.72 83.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.384 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -56.74 -47.53 79.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 108.614 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -61.46 -39.54 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.093 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -61.78 -44.58 96.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.71 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.96 -43.3 99.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.874 . . . . 0.0 109.727 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -56.11 -44.15 78.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.08 -1.012 . . . . 0.0 109.12 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 109.057 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.47 -54.7 17.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.88 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -34.51 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.744 -1.223 . . . . 0.0 109.071 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -66.86 -45.85 76.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.355 -0.841 . . . . 0.0 109.681 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -63.42 -40.69 97.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.0 109.693 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.27 -42.54 93.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 109.476 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -61.07 -41.14 96.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.064 -1.023 . . . . 0.0 109.548 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.6 -40.16 96.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.88 . . . . 0.0 109.689 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -60.24 -51.53 69.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -67.77 -32.25 72.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.071 -1.018 . . . . 0.0 109.489 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.97 -49.54 77.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.64 -44.39 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 0.0 109.403 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -48.28 -50.34 30.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.199 -0.938 . . . . 0.0 109.525 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -60.03 -45.53 92.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.671 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -66.72 -41.98 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.728 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.4 tt -60.66 -38.18 84.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.108 -0.995 . . . . 0.0 108.716 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.3 mtt -62.88 -54.41 39.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.595 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.61 -42.23 55.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -63.75 -42.58 97.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.141 -0.975 . . . . 0.0 109.29 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -65.43 -40.75 93.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.0 109.607 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -64.43 -38.86 92.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.194 -0.941 . . . . 0.0 109.36 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.06 -41.85 99.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' B' ' 20' ' ' LYS . 88.8 mt -66.66 -69.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.615 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 59.1 tttm -39.02 -41.38 0.77 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.702 -0.623 . . . . 0.0 109.879 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' B' ' 25' ' ' ARG . 83.9 tt0 -66.17 -46.34 77.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.878 . . . . 0.0 109.038 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 45.0 tp -61.08 -36.51 79.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.411 -0.806 . . . . 0.0 108.971 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.43 -40.22 95.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.17 -41.2 94.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.355 -0.84 . . . . 0.0 109.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' B' ' 21' ' ' GLU . 97.6 mtt180 -69.24 -36.33 77.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.283 -0.885 . . . . 0.0 109.265 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.494 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -62.04 -45.87 91.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 108.63 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.0 m -61.63 -40.35 94.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.291 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -65.75 -38.85 90.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.362 -0.836 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -63.41 -43.26 98.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.446 -0.784 . . . . 0.0 109.264 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -59.82 -42.53 93.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 108.808 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.22 -54.28 18.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.325 -0.859 . . . . 0.0 109.147 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.0 -35.82 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.833 -1.167 . . . . 0.0 109.098 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.11 -44.25 80.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.501 -0.749 . . . . 0.0 109.601 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.03 -38.45 91.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -68.66 -44.7 73.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 108.888 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.62 -43.41 98.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -63.32 -35.69 81.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.75 -52.61 59.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 109.701 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.53 -32.66 74.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -58.05 -47.31 83.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.96 . . . . 0.0 108.882 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -69.67 -43.26 72.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.217 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -47.48 -45.4 26.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.127 -0.983 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.609 -0.682 . . . . 0.0 109.198 179.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.247 0.546 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -59.08 -45.66 90.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.27 -0.894 . . . . 0.0 109.828 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mm -65.88 -40.98 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 109.878 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.6 -45.08 95.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.58 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.23 -51.62 65.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.21 -0.931 . . . . 0.0 109.305 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -50.83 -39.99 54.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 108.836 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -65.04 -41.56 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.072 -1.018 . . . . 0.0 109.491 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -66.74 -39.99 88.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -61.5 -42.43 98.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.039 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.6 HD13 ' NZ ' ' B' ' 15' ' ' LYS . 90.5 mt -66.76 -66.74 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.849 . . . . 0.0 109.68 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ILE . 20.0 tptp -39.51 -42.57 1.15 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.721 -0.612 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.92 -46.24 88.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.0 108.994 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ILE . 61.9 tp -60.98 -32.71 72.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.893 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -63.8 -43.83 95.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.377 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.4 -40.39 93.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.357 -0.839 . . . . 0.0 109.318 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.98 -46.69 87.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.324 -0.86 . . . . 0.0 108.964 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 m -64.03 -37.71 88.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.28 -0.888 . . . . 0.0 109.127 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -58.99 -49.16 78.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.93 -40.86 95.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.15 -0.968 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.62 -42.11 91.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.445 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.56 -38.52 91.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.422 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -67.97 -48.82 64.78 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.898 . . . . 0.0 109.004 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.55 -34.27 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.888 -1.132 . . . . 0.0 109.037 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.55 -42.94 81.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.99 -38.88 89.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.08 -41.86 94.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 109.16 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -62.89 -40.58 97.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.318 -0.864 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -62.07 -41.59 98.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -61.87 -47.61 84.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.762 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.91 -34.17 76.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.21 -0.931 . . . . 0.0 109.485 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -62.25 -50.91 69.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 109.367 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.14 -43.36 92.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.939 . . . . 0.0 109.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 t -48.42 -47.04 38.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -0.913 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.307 -0.871 . . . . 0.0 109.392 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.88 -46.39 90.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.519 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.48 -42.54 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.208 -0.932 . . . . 0.0 110.006 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.21 -42.7 91.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 109.71 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -65.44 -54.45 28.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -48.98 -37.26 19.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.6 ' NZ ' HD13 ' A' ' 19' ' ' ILE . 14.6 tptm -66.62 -40.8 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.659 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.96 -43.21 91.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.095 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -62.8 -37.34 86.34 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -0.844 . . . . 0.0 109.58 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.07 -45.21 89.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.281 -0.887 . . . . 0.0 109.802 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 22' ' ' LEU . 32.4 mm -67.27 -67.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 19' ' ' ILE . 77.8 tttt -40.28 -42.51 1.54 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.635 -0.665 . . . . 0.0 109.727 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.8 -44.96 95.82 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.491 HD11 HH21 ' B' ' 25' ' ' ARG . 63.6 tp -63.43 -34.11 77.04 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.52 -0.738 . . . . 0.0 109.246 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.34 -43.52 98.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 109.606 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -66.96 -37.76 84.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.491 HH21 HD11 ' B' ' 22' ' ' LEU . 61.9 ttp85 -67.99 -39.18 83.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.31 -0.869 . . . . 0.0 108.933 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.54 -41.52 92.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.387 -0.82 . . . . 0.0 109.079 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.0 p -65.02 -37.89 89.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.251 -0.906 . . . . 0.0 108.924 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.65 -39.86 73.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.11 -45.93 83.14 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -58.05 -38.73 76.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 108.498 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.96 -36.32 79.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.014 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -68.3 -52.34 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.316 -0.865 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mm -52.24 -35.79 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.821 -1.174 . . . . 0.0 108.668 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.13 -44.52 83.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.384 -0.823 . . . . 0.0 109.295 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.347 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.39 -43.16 86.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.893 . . . . 0.0 108.824 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.73 -44.01 90.34 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.376 -0.827 . . . . 0.0 109.178 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -62.63 -39.55 94.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.392 -0.817 . . . . 0.0 109.326 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -59.84 -44.34 94.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.79 -35.04 79.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.217 -0.927 . . . . 0.0 109.785 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.82 -50.68 72.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.992 . . . . 0.0 109.063 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.05 -43.42 87.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.169 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.29 -49.61 42.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.24 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.23 -47.38 83.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.29 -0.881 . . . . 0.0 110.02 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.3 -40.49 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.179 -0.951 . . . . 0.0 110.011 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.25 -43.84 93.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 109.813 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -61.96 -56.5 18.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.112 -0.992 . . . . 0.0 109.545 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.16 -35.42 26.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 109.098 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -62.58 -45.38 93.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.257 -0.902 . . . . 0.0 109.284 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -59.51 -37.24 77.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.26 -38.54 91.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.335 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -62.59 -45.22 93.88 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LYS . 13.2 mm -63.22 -70.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.082 -1.011 . . . . 0.0 109.651 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ILE . 64.5 tttm -39.17 -41.14 0.81 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.791 -0.568 . . . . 0.0 110.194 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.8 -47.45 75.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.057 -1.027 . . . . 0.0 109.011 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -57.16 -36.78 71.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.15 -44.21 96.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.941 . . . . 0.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -65.61 -40.51 92.7 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -64.72 -36.38 84.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.362 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.1 tt -69.33 -39.68 78.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.076 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -60.01 -43.12 95.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.121 -0.987 . . . . 0.0 109.291 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.12 -40.92 97.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.192 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -47.42 86.35 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.357 -0.839 . . . . 0.0 109.089 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -55.55 -42.4 74.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.19 -37.04 79.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.379 -0.826 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.42 -57.35 6.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 0.0 109.738 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.96 -33.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.714 -1.241 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -64.63 -44.52 90.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.36 -0.838 . . . . 0.0 109.548 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.46 -38.76 92.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.401 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.22 -44.37 84.02 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.327 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -58.76 -46.71 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.54 -42.71 95.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -63.97 -37.19 86.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -67.17 -38.94 86.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -62.48 -50.78 70.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.227 -0.921 . . . . 0.0 109.692 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -62.13 -43.24 99.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.9 t -49.27 -47.89 46.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.139 -0.976 . . . . 0.0 109.219 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.333 -0.854 . . . . 0.0 109.176 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.38 -47.79 82.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 109.773 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.03 -44.46 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.65 -40.51 92.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.177 -0.952 . . . . 0.0 109.317 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 65.0 mmm -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.77 -41.42 56.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.12 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -61.49 -42.63 99.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.15 -37.85 86.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.08 -36.99 86.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.21 -0.932 . . . . 0.0 109.525 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -63.94 -46.64 83.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 2.6 mp -65.43 -65.42 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 108.75 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 20' ' ' LYS . 6.4 ttpm? -40.3 -41.94 1.44 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.745 -0.597 . . . . 0.0 109.807 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.19 -47.34 74.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.134 -0.979 . . . . 0.0 108.891 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.03 -33.52 69.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 108.634 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.42 -41.76 93.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -66.2 -44.96 82.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.2 -0.937 . . . . 0.0 109.719 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -66.76 -35.19 79.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.88 -38.33 82.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.243 -0.911 . . . . 0.0 109.265 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -64.63 -40.26 95.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 109.583 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.18 -38.03 87.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.465 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -64.06 -42.97 96.83 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.32 -0.863 . . . . 0.0 109.112 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.26 -43.53 92.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.48 -38.34 77.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.267 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.43 -53.01 26.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.53 -36.34 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.82 -1.175 . . . . 0.0 109.553 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.215 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.58 -35.96 78.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.9 . . . . 0.0 109.5 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.21 -46.41 80.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.326 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.39 -39.62 93.83 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.211 -0.931 . . . . 0.0 109.564 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -63.56 -40.43 96.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.626 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -61.58 -46.58 89.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.232 -0.918 . . . . 0.0 109.546 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.92 -35.55 80.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.103 -0.998 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.06 -51.52 69.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.132 -0.98 . . . . 0.0 109.176 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -67.06 -41.38 86.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 108.91 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 t -44.23 -42.85 6.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.609 -0.682 . . . . 0.0 109.937 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.145 -0.972 . . . . 0.0 109.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -62.06 -45.08 95.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.872 . . . . 0.0 109.861 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 -42.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.05 -38.3 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.134 -0.979 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -64.21 -56.29 15.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.2 tt -48.99 -40.23 29.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 0.0 108.867 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -63.0 -42.12 99.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.265 -0.897 . . . . 0.0 109.014 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.74 -38.9 92.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.66 -35.44 80.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 0.0 109.45 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -63.76 -46.42 85.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 30.9 mm -66.58 -65.61 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.0 109.606 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 50.9 tttp -39.16 -43.42 1.07 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.756 -0.59 . . . . 0.0 110.212 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.44 -47.46 83.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.048 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 HH21 ' A' ' 25' ' ' ARG . 28.4 tp -62.63 -36.14 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.286 -0.884 . . . . 0.0 109.194 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -60.47 -40.81 92.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.251 -0.906 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -66.69 -40.71 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.348 -0.845 . . . . 0.0 109.141 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.547 HH21 HD13 ' A' ' 22' ' ' LEU . 33.0 ttp180 -66.65 -36.58 82.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 0.0 109.06 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -60.34 -46.55 89.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.389 -0.82 . . . . 0.0 108.854 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.55 -40.33 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.136 -0.977 . . . . 0.0 109.256 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.39 -41.07 96.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.0 109.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -63.81 -49.8 71.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 109.231 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -52.44 -40.06 61.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.75 -37.23 86.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 109.443 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.05 -50.92 60.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 109.811 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.26 -37.73 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.72 -1.238 . . . . 0.0 109.198 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -64.27 -45.08 89.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.53 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.03 -37.54 86.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.732 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.11 -42.22 94.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 0.0 108.987 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -62.08 -44.18 97.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -62.18 -40.8 97.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.905 . . . . 0.0 109.552 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -63.97 -41.2 97.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.873 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.2 tt -64.71 -36.29 83.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.884 . . . . 0.0 108.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -62.63 -51.08 68.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.767 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -61.13 -46.73 89.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.4 m -48.82 -47.59 42.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.14 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 109.527 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.188 0.518 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' B' ' 10' ' ' LYS . 8.7 mtmp? -62.65 -47.23 84.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.855 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.12 -45.26 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.63 -42.58 99.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.019 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mmm -60.11 -54.95 39.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.161 -0.962 . . . . 0.0 109.096 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.61 -38.58 46.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.299 -0.876 . . . . 0.0 109.095 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -66.18 -41.52 90.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.187 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -62.99 -37.64 87.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -66.87 -34.85 78.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.268 -0.895 . . . . 0.0 109.118 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -62.1 -47.5 84.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.9 mm -67.36 -65.1 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.247 -0.908 . . . . 0.0 109.648 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.4 tttt -39.68 -46.29 1.82 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.752 -0.592 . . . . 0.0 110.082 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.66 -46.47 90.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.142 -0.973 . . . . 0.0 108.804 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.35 -35.19 75.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.389 -0.819 . . . . 0.0 108.913 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.02 -39.71 93.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.34 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.94 -44.15 85.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.0 109.569 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.71 -36.66 81.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 0.0 109.273 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.44 -44.29 97.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.302 -0.873 . . . . 0.0 109.146 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -63.67 -38.03 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.177 -0.952 . . . . 0.0 108.994 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.5 -44.32 93.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.345 -0.847 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.24 -44.18 97.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -52.11 -48.76 64.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.98 -34.02 75.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.259 -0.901 . . . . 0.0 109.439 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.53 -55.44 11.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -49.82 -36.97 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.807 -1.183 . . . . 0.0 109.28 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.26 -43.86 85.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.75 -40.55 95.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.162 -0.961 . . . . 0.0 110.179 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.565 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -67.6 -43.96 79.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 0.0 109.044 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -56.31 -45.46 80.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.03 -1.044 . . . . 0.0 109.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -63.97 -41.47 97.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.855 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.69 -48.59 78.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.948 . . . . 0.0 109.615 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.48 -33.08 74.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.889 . . . . 0.0 109.089 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' B' ' 41' ' ' HIS . 2.8 t-80 -63.77 -51.97 62.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -59.36 -48.38 81.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.208 -0.933 . . . . 0.0 109.458 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -48.92 -47.86 43.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 0.0 109.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 108.975 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.179 0.514 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -59.46 -46.29 89.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.436 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 mm -67.98 -43.12 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 109.473 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 tt -58.24 -43.53 87.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.176 -0.952 . . . . 0.0 108.792 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.35 -54.45 46.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.643 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -50.55 -44.74 56.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.149 -0.97 . . . . 0.0 108.905 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.22 -41.63 93.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.126 -0.984 . . . . 0.0 109.096 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -64.27 -40.19 95.49 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.353 -0.842 . . . . 0.0 109.593 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.73 -39.36 93.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -60.96 -43.09 99.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.267 -0.896 . . . . 0.0 109.157 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 93.3 mt -64.19 -71.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.78 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ILE . 90.4 mttt -39.36 -39.47 0.66 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.782 -0.574 . . . . 0.0 110.383 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.49 -47.97 81.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.951 -1.093 . . . . 0.0 108.865 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.81 -36.07 81.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.918 . . . . 0.0 108.582 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -59.8 -42.09 92.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.551 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -66.21 -41.31 90.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -66.04 -38.07 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.332 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.719 HD11 ' HZ1' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -64.57 -42.87 95.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 109.06 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -63.12 -42.67 99.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.967 . . . . 0.0 109.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.78 -40.22 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.282 -0.886 . . . . 0.0 109.783 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -63.26 -42.29 99.15 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.088 -1.008 . . . . 0.0 109.134 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.06 -41.6 88.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.064 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 109.224 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.5 -49.55 66.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.496 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.2 -38.12 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.81 -1.181 . . . . 0.0 109.586 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.29 -44.88 82.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.085 -1.009 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.35 -41.91 90.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.22 -42.93 88.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 108.931 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.59 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.993 . . . . 0.0 110.043 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -61.39 -38.74 88.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.171 -0.955 . . . . 0.0 109.43 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.87 -47.24 84.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.98 -36.02 83.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.743 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.56 -45.8 88.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.175 -0.953 . . . . 0.0 108.677 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -66.43 -46.43 76.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 0.0 109.253 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 t -48.24 -51.54 25.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 109.787 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 109.653 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.145 0.497 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.51 -46.45 86.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.01 . . . . 0.0 109.73 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.54 -40.77 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.866 . . . . 0.0 109.41 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.78 -44.74 96.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.0 108.765 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.68 -54.28 41.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.614 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.526 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -50.93 -41.87 59.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.028 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -62.81 -41.86 99.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.451 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.85 -39.1 87.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.453 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -59.53 -41.36 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -63.91 -43.31 96.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.41 -0.806 . . . . 0.0 109.166 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 22' ' ' LEU . 97.1 mt -63.2 -70.85 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 0.0 109.554 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 62.7 mttm -39.61 -44.75 1.52 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.732 -0.605 . . . . 0.0 109.996 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -63.23 -44.54 94.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.171 -0.955 . . . . 0.0 109.0 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tp -60.77 -37.44 81.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.838 . . . . 0.0 109.292 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.26 -42.65 98.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.199 -0.938 . . . . 0.0 109.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -67.05 -41.37 86.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 0.0 109.4 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.81 -36.48 82.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.678 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.26 -40.28 90.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.943 . . . . 0.0 109.444 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -67.26 -37.76 84.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.641 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.719 ' HZ1' HD11 ' A' ' 26' ' ' LEU . 36.4 ttmt -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.093 -1.004 . . . . 0.0 108.981 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.21 -38.68 84.09 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.333 -0.854 . . . . 0.0 108.785 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.44 -38.37 83.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -67.1 -54.59 19.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.151 -0.968 . . . . 0.0 109.554 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -52.7 -33.34 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.734 -1.229 . . . . 0.0 108.799 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.96 -43.5 87.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.02 -42.48 99.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 109.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.9 OUTLIER -65.85 -46.15 79.56 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -51.98 -49.02 64.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.143 -0.973 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -65.74 -39.92 91.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 109.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.58 -48.28 81.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 109.875 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.66 -35.01 79.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 0.0 109.524 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' GLN . 59.2 t-80 -60.9 -47.9 84.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 108.973 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -67.55 -44.95 77.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.281 -0.887 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.62 -44.21 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' HIS . 2.7 pt20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 109.679 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -63.35 -45.57 90.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.417 -0.802 . . . . 0.0 109.903 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.26 -43.9 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 109.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.2 tt -60.1 -41.15 91.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 mmt -57.21 -51.6 68.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.069 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -51.69 -41.39 61.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 108.76 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.79 -42.2 91.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.58 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -65.21 -42.59 93.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.347 -0.846 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.98 -40.41 95.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.4 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -62.1 -42.43 99.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -0.861 . . . . 0.0 109.406 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -64.18 -70.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.893 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ILE . 61.1 tttm -40.0 -44.87 1.81 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.622 -0.674 . . . . 0.0 110.128 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 41.9 tt0 -62.41 -45.73 91.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.121 -0.987 . . . . 0.0 108.871 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.59 -33.56 68.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.449 -0.782 . . . . 0.0 108.938 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.83 -41.68 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -64.27 -43.01 96.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.137 -0.977 . . . . 0.0 110.181 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 21' ' ' GLU . 85.8 mtt180 -66.9 -39.86 87.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.036 . . . . 0.0 109.225 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.51 -38.73 87.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.468 -0.77 . . . . 0.0 109.603 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.8 p -64.64 -37.66 88.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.91 -40.95 91.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.278 -0.889 . . . . 0.0 109.638 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -63.6 -40.54 97.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.16 -40.33 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.959 . . . . 0.0 109.651 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.6 -39.32 93.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 109.384 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -67.32 -49.49 63.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.28 -0.887 . . . . 0.0 109.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.3 mt -53.54 -35.97 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.914 -1.116 . . . . 0.0 109.211 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.96 -44.17 85.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.436 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.97 -35.92 81.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.0 109.949 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.65 -42.16 91.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.82 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -63.69 -42.1 98.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.162 -0.961 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -62.86 -41.92 99.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.035 -1.04 . . . . 0.0 108.876 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -42.5 99.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.417 -0.802 . . . . 0.0 109.185 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -60.97 -37.72 83.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.477 -0.764 . . . . 0.0 109.259 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -60.46 -46.3 90.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.049 -1.032 . . . . 0.0 108.926 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.25 -42.72 93.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.383 -0.823 . . . . 0.0 109.516 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.9 m -53.03 -53.08 55.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 110.421 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.188 -179.123 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -58.93 -46.21 88.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 0.0 109.802 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.916 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 63.8 mmm -61.11 -52.86 63.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.83 -39.23 58.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 109.358 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.32 -42.47 96.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.977 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -65.09 -42.41 94.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 109.817 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.11 -35.8 81.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 0.0 109.509 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.59 -44.01 95.3 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.242 -0.911 . . . . 0.0 109.149 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' B' ' 20' ' ' LYS . 95.9 mt -62.76 -68.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 0.0 109.685 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.2 ttpp -39.84 -41.39 1.13 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.702 -0.624 . . . . 0.0 110.019 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.41 -47.02 87.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.938 . . . . 0.0 109.048 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.93 -32.48 69.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.154 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -63.31 -46.09 88.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 109.374 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.12 -41.56 81.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.192 -0.943 . . . . 0.0 109.718 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -65.78 -38.12 88.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 0.0 109.724 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.95 -39.89 83.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.451 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.3 -40.28 93.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.77 -37.51 84.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.405 -0.809 . . . . 0.0 109.391 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.87 -52.52 62.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.309 -0.869 . . . . 0.0 109.333 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.28 -38.16 70.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.224 -0.923 . . . . 0.0 109.143 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.38 -36.9 79.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.423 -0.798 . . . . 0.0 109.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.38 -56.04 9.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.516 ' N ' HD12 ' B' ' 33' ' ' ILE . 2.0 mp -53.4 -31.06 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.51 -1.369 . . . . 0.0 108.092 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -67.87 -47.35 69.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.408 -0.808 . . . . 0.0 109.095 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.71 -42.8 97.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.801 . . . . 0.0 109.802 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.73 -38.38 83.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.898 . . . . 0.0 109.433 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.69 -43.28 94.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.499 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -65.03 -42.44 94.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -61.74 -39.38 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.955 . . . . 0.0 109.255 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.512 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -69.72 -37.01 76.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 108.907 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -61.58 -47.59 84.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.938 . . . . 0.0 109.705 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -62.65 -43.54 98.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.247 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.58 -50.09 43.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 0.0 109.444 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.301 0.572 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -62.73 -42.98 99.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.12 -0.988 . . . . 0.0 110.07 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -66.13 -46.47 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.494 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.42 -41.79 98.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.144 -0.973 . . . . 0.0 109.146 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.65 -55.82 26.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.991 -1.068 . . . . 0.0 109.26 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.6 tt -47.74 -39.95 19.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 0.0 108.702 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -65.88 -39.33 90.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.65 -39.11 92.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -65.79 -36.05 82.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.28 -0.887 . . . . 0.0 109.091 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.9 -45.51 94.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.506 -0.746 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.6 mm -66.61 -64.89 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.945 . . . . 0.0 109.875 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ILE . 3.2 ttmp? -37.3 -43.5 0.54 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.761 -0.587 . . . . 0.0 110.137 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.1 -44.99 87.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.214 -0.929 . . . . 0.0 108.792 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.12 -37.38 82.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.87 -42.55 98.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.06 -1.025 . . . . 0.0 109.164 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -69.0 -40.02 78.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.278 -0.889 . . . . 0.0 109.518 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -65.71 -38.33 88.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.296 -0.877 . . . . 0.0 109.261 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.34 -41.45 93.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.906 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -61.8 -40.13 94.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.19 -41.67 99.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.911 . . . . 0.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.81 -48.35 80.98 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -53.23 -44.53 68.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 0.0 109.403 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.52 -35.75 76.74 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.225 -0.922 . . . . 0.0 109.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.97 -52.5 35.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.0 109.971 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' B' ' 33' ' ' ILE . 18.0 mm -53.14 -35.89 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.69 -1.256 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -65.04 -46.7 80.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -67.38 -37.52 83.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.504 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -66.51 -44.29 82.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.306 -0.871 . . . . 0.0 109.17 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -59.54 -41.66 90.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.53 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -63.95 -38.86 92.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.0 109.778 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -62.03 -46.75 87.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.196 -0.94 . . . . 0.0 109.858 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.67 -33.5 75.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.074 -1.016 . . . . 0.0 109.637 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.94 -51.49 67.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 109.229 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.15 -43.54 94.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.235 -0.915 . . . . 0.0 109.31 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.9 m -48.58 -47.05 39.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.126 0.489 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.63 -54.19 49.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.225 -0.922 . . . . 0.0 110.203 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.84 -37.27 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.023 -1.048 . . . . 0.0 109.377 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.94 -42.11 84.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 0.0 109.106 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 41.5 mtt -69.59 -51.93 30.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 109.106 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.08 -43.8 41.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.209 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.99 -44.85 95.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.19 -0.944 . . . . 0.0 108.563 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.79 -41.23 86.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.13 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -64.08 -41.2 97.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.389 -0.819 . . . . 0.0 110.263 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.25 -48.74 80.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.165 -0.959 . . . . 0.0 109.914 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' B' ' 20' ' ' LYS . 1.4 mp -63.29 -65.47 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.995 . . . . 0.0 109.439 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.9 tttt -36.6 -45.99 0.55 Allowed 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.194 0.521 . . . . 0.0 110.602 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -60.46 -47.98 83.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 108.706 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 19' ' ' ILE . 34.7 tp -58.5 -34.94 71.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.457 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -61.87 -45.59 93.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 109.946 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -68.46 -39.17 81.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.932 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -66.41 -36.97 84.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.181 -0.95 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.09 -40.02 86.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.584 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -63.53 -41.55 98.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.12 -38.75 86.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.536 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.7 -46.62 81.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.227 -0.921 . . . . 0.0 108.99 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -55.79 -40.8 73.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.005 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.26 -34.11 76.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.0 108.952 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.67 -52.62 24.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' A' ' 33' ' ' ILE . 23.3 mm -56.08 -33.44 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -67.14 -42.56 84.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.41 -37.14 84.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.547 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.2 tt -67.42 -42.98 82.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 108.781 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -43.22 95.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.195 -0.94 . . . . 0.0 109.351 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.98 -41.67 95.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.339 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.3 -41.05 98.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.275 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.64 -37.49 84.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.373 -0.83 . . . . 0.0 109.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.75 -47.52 85.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.228 -0.92 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -69.21 -42.09 76.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.339 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 t -47.68 -43.75 26.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.743 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 0.0 109.408 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.33 -46.4 88.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.907 . . . . 0.0 109.82 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.26 -41.36 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.807 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 tt -61.49 -44.16 97.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 108.906 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mmm -59.02 -52.44 65.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.85 -40.27 55.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 15.1 mtpp -64.33 -39.98 94.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.163 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.04 -41.14 91.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.426 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.13 -40.08 96.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.294 -0.879 . . . . 0.0 109.468 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -62.38 -42.63 99.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.41 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.9 mt -64.92 -69.77 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.66 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.6 ttpp -40.63 -44.62 2.17 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 109.918 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.83 -46.13 89.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 108.816 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.07 -37.06 78.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.071 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -63.74 -40.42 96.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.741 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.23 -41.44 94.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -66.43 -34.14 77.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.919 . . . . 0.0 109.037 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.26 -39.81 86.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 108.899 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.1 t -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.17 -0.956 . . . . 0.0 109.328 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.24 -38.36 90.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.11 -44.85 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -56.76 -42.63 79.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.85 -38.82 89.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.71 -50.38 62.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.06 -37.75 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.74 -42.57 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 0.0 109.307 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -62.23 -42.6 99.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.55 -46.94 71.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.286 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -57.29 -43.34 83.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -0.938 . . . . 0.0 109.497 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.76 -38.03 88.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -60.0 -45.04 94.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 109.764 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -35.09 77.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.118 -0.989 . . . . 0.0 109.636 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.0 -50.46 74.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -68.08 -46.27 71.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.53 -49.02 27.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.478 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 109.487 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -60.98 -44.03 97.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.045 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.78 -41.98 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 109.712 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.33 -38.55 87.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.124 -0.985 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 13.4 mmt -64.77 -55.22 21.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.89 -41.95 46.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.299 -0.876 . . . . 0.0 108.932 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.464 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 32.6 ttmt -63.37 -41.41 98.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.191 -0.943 . . . . 0.0 109.338 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -65.91 -39.22 90.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -0.946 . . . . 0.0 109.405 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.87 -37.6 88.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.091 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -63.21 -43.29 98.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.299 -0.876 . . . . 0.0 109.152 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 85.2 mt -65.75 -71.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.0 tptp -41.02 -42.7 1.98 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.578 -0.701 . . . . 0.0 109.624 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.07 -46.18 88.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.953 . . . . 0.0 108.566 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 6.3 tt -58.11 -37.77 75.21 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.01 -44.45 92.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.918 . . . . 0.0 109.32 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -67.15 -37.23 83.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 108.905 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.65 -42.45 95.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.7 p -65.81 -37.81 87.27 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.901 . . . . 0.0 108.976 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.65 -44.15 91.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.412 -0.805 . . . . 0.0 109.053 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -60.89 -38.63 86.34 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.3 -38.64 87.54 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.457 -0.777 . . . . 0.0 109.297 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.5 -38.83 92.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -68.42 -56.94 6.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.22 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -51.29 -36.33 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.866 -1.146 . . . . 0.0 109.057 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.63 -42.55 86.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.363 -0.836 . . . . 0.0 109.489 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.67 -41.07 98.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.486 -0.759 . . . . 0.0 109.918 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.33 -38.84 88.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.141 -0.974 . . . . 0.0 108.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -56.99 -46.46 82.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.214 -0.929 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -66.67 -41.82 87.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -60.09 -39.43 86.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 108.766 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.18 -36.81 77.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.267 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.14 -47.23 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.132 -0.98 . . . . 0.0 109.874 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.61 -46.48 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 109.699 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 2.0 p -48.35 -41.94 30.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.982 -1.074 . . . . 0.0 109.497 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 4.3 tp-100 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.263 -0.898 . . . . 0.0 109.145 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.272 0.558 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.93 -45.87 91.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.861 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -67.63 -40.23 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 109.787 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.8 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.51 -53.96 49.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 0.0 109.48 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -48.48 -42.31 32.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.157 -0.964 . . . . 0.0 109.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.12 -41.36 97.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -64.04 -39.47 94.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.661 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.47 -38.16 90.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.188 -0.945 . . . . 0.0 109.556 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -63.46 -46.39 86.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 34.1 mm -67.65 -64.63 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.103 -0.998 . . . . 0.0 109.513 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ILE . 19.8 tptm -39.64 -45.92 1.74 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.648 -0.657 . . . . 0.0 109.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.71 -46.15 86.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 0.0 109.106 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.33 -36.86 78.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.862 . . . . 0.0 109.269 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.23 -40.05 94.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.99 -42.4 94.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 0.0 109.259 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -66.45 -36.03 81.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.06 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 -42.39 98.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.362 -0.836 . . . . 0.0 109.013 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.3 m -64.62 -38.82 92.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.925 . . . . 0.0 109.201 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -64.31 -42.69 96.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.03 -41.09 91.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 108.943 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.23 -43.09 99.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.437 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.04 -38.16 90.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.118 -0.989 . . . . 0.0 109.956 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.31 -49.53 69.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.047 -1.033 . . . . 0.0 108.963 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -52.98 -34.69 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.915 -1.116 . . . . 0.0 108.315 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -65.25 -43.93 89.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.264 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -64.73 -42.93 94.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.366 -0.834 . . . . 0.0 109.669 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.91 -42.21 98.82 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.56 -43.31 99.1 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.512 -0.742 . . . . 0.0 109.023 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -32.9 72.65 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.566 -0.708 . . . . 0.0 109.473 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.26 -55.53 10.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.63 -35.33 79.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.942 -1.099 . . . . 0.0 109.485 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -61.2 -49.61 76.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.943 -1.098 . . . . 0.0 108.766 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -63.37 -49.24 74.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 109.378 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.86 -43.07 28.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 109.939 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.083 -1.011 . . . . 0.0 109.926 -179.635 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -0.918 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.7 ' N ' HD12 ' B' ' 11' ' ' ILE . 2.0 mp -65.43 -41.13 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 0.0 109.483 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.79 -38.76 89.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mtp -63.23 -55.22 26.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.95 . . . . 0.0 109.648 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.96 -38.36 50.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -63.34 -43.2 98.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.303 -0.873 . . . . 0.0 109.52 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.21 -40.23 90.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.23 -0.919 . . . . 0.0 109.774 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.19 -38.2 90.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 109.468 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.93 -43.37 96.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.48 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.8 mt -64.08 -69.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.774 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.8 ttpt -39.32 -43.13 1.12 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.73 -0.606 . . . . 0.0 110.199 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.63 -47.34 86.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -0.953 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.59 -34.62 71.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.129 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -63.55 -42.78 98.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.613 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -66.16 -42.67 88.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.872 . . . . 0.0 109.715 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.99 -37.68 86.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 109.294 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.69 -38.31 86.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . 0.421 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.7 m -65.02 -42.21 94.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.549 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.81 -40.55 97.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.336 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -63.06 -42.07 99.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.299 -0.876 . . . . 0.0 108.863 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.88 -40.32 79.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.24 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -64.11 -35.2 79.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 0.0 109.028 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -67.2 -58.86 4.06 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.616 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 33' ' ' ILE . 1.4 mp -53.58 -31.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.688 -1.258 . . . . 0.0 108.651 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.0 -46.27 78.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.17 -37.66 88.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.128 -0.982 . . . . 0.0 109.082 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.38 -44.83 82.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -63.99 -42.43 97.21 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.411 -0.805 . . . . 0.0 109.697 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -62.66 -42.72 99.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 109.908 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.95 -42.06 97.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.501 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.34 -35.25 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.59 -45.6 93.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 0.0 109.334 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.95 -46.04 75.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.61 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.4 m -48.13 -46.96 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 0.0 109.552 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 109.4 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.221 0.534 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -64.46 -45.84 85.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.36 -43.32 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.241 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.89 -41.59 98.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.175 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.54 -54.7 24.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.38 -37.09 35.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 108.731 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -63.4 -42.96 98.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.339 -0.851 . . . . 0.0 108.714 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -63.21 -38.19 90.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -63.21 -38.59 91.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.221 -0.925 . . . . 0.0 109.374 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.79 -48.86 77.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 109.827 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 26.8 mm -66.37 -65.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.16 -0.963 . . . . 0.0 109.877 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 77.7 tttt -39.41 -40.24 0.78 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.601 -0.687 . . . . 0.0 110.066 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' OE2' ' NE ' ' A' ' 25' ' ' ARG . 14.5 tm-20 -63.79 -48.87 75.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.09 -36.03 78.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 0.0 109.46 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -62.35 -41.96 99.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -65.64 -41.77 92.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' ' OE2' ' A' ' 21' ' ' GLU . 93.2 mtt180 -65.5 -33.71 76.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.871 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.3 -45.64 93.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 108.807 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -61.04 -41.96 97.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.03 -39.32 93.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.363 -0.835 . . . . 0.0 109.725 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -64.22 -43.54 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 109.09 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.61 -42.17 82.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.412 -0.805 . . . . 0.0 109.089 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -62.94 -36.7 84.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.253 -0.905 . . . . 0.0 108.835 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.99 -51.83 42.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 109.475 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -54.01 -36.41 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.863 -1.148 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -68.86 -42.49 77.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.167 -0.958 . . . . 0.0 109.716 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.16 -39.09 93.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.16 -0.963 . . . . 0.0 109.21 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.44 -40.12 89.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.81 -46.3 90.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -63.59 -42.14 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.11 -0.994 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.61 -39.09 83.08 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.216 -0.927 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.71 -36.2 81.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.01 -50.38 72.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.439 -0.788 . . . . 0.0 109.32 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -65.86 -42.59 90.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.262 -0.899 . . . . 0.0 109.267 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -47.12 -52.28 15.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.266 -0.896 . . . . 0.0 109.365 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.049 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.15 -45.68 92.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 109.841 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.91 -42.68 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 109.776 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.1 tt -60.13 -43.12 95.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 109.244 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -53.66 52.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.111 -0.993 . . . . 0.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.202 -0.936 . . . . 0.0 109.232 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.84 -47.32 86.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.247 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.55 -36.75 83.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.213 -0.929 . . . . 0.0 109.139 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -59.85 -42.48 93.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.092 -1.005 . . . . 0.0 109.196 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -61.76 -48.9 78.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.8 mm -67.23 -65.25 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -0.944 . . . . 0.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 19' ' ' ILE . 37.4 tttp -37.13 -45.89 0.65 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -62.77 -48.53 78.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.169 -0.957 . . . . 0.0 108.831 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 19' ' ' ILE . 58.7 tp -60.58 -33.5 72.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 0.0 109.275 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.397 -0.814 . . . . 0.0 109.515 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -65.24 -40.66 94.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.312 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt-85 -68.04 -34.29 76.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.325 -0.859 . . . . 0.0 109.006 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.495 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -60.23 -47.62 85.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.423 -0.798 . . . . 0.0 109.015 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.9 p -63.67 -39.46 94.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.006 . . . . 0.0 109.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.85 -40.69 97.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.928 . . . . 0.0 109.626 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -63.9 -44.85 91.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.0 109.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -55.18 -39.98 70.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 0.0 108.722 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.77 -38.63 91.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.504 -0.748 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.18 -54.21 16.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.272 -0.893 . . . . 0.0 109.762 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.76 -35.04 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.863 -1.148 . . . . 0.0 109.455 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.5 -41.52 88.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.54 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -65.99 -35.53 80.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -65.92 -43.7 87.37 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -56.93 -47.08 81.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.624 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -63.03 -40.67 98.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.163 -0.961 . . . . 0.0 109.713 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.95 -42.09 93.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.183 -0.948 . . . . 0.0 109.586 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.569 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -65.99 -37.16 85.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.354 -179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.87 -47.36 86.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.987 -1.071 . . . . 0.0 109.304 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.87 -45.95 73.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 109.458 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' B' ' 44' ' ' GLN . 92.2 m -48.32 -44.54 34.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' CYS . 51.6 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.769 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.05 -43.3 95.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.08 -46.21 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.362 -0.836 . . . . 0.0 109.959 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.61 -44.3 96.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 109.033 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 mtt -58.4 -52.74 64.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 109.123 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.94 -41.54 59.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.22 -40.51 96.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.882 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -66.14 -37.17 85.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.875 . . . . 0.0 109.184 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.8 -44.57 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.548 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.28 -43.02 99.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.243 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' LEU . 95.7 mt -65.16 -68.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.291 -0.881 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.9 tttm -40.85 -42.29 1.78 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.642 -0.661 . . . . 0.0 109.572 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.45 -45.21 91.88 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.2 tt -59.56 -37.86 79.57 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.44 -40.95 98.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.59 -45.6 86.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -65.81 -37.58 86.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 0.0 109.102 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.161 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 m -62.7 -40.65 97.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 0.0 109.662 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -66.58 -38.73 87.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.0 109.515 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HZ1' HD11 ' A' ' 33' ' ' ILE . 17.3 tptp -61.39 -50.4 73.0 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.283 -0.886 . . . . 0.0 108.798 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -52.38 -45.82 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.103 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.03 -34.78 66.19 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.68 -53.81 12.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.513 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.561 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 12.2 mm -55.19 -36.3 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.751 -1.218 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.38 -43.3 86.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.886 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -67.39 -37.16 82.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.905 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -64.52 -44.56 90.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.893 . . . . 0.0 108.738 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.33 -41.08 92.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.0 109.429 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -61.74 -40.3 94.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.371 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.47 -46.48 88.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.54 -34.86 78.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.85 -49.42 74.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.139 -0.975 . . . . 0.0 109.204 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.67 -45.69 74.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.366 -0.834 . . . . 0.0 109.459 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -47.44 -46.24 26.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.382 -0.824 . . . . 0.0 109.698 -179.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -59.49 -46.39 88.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.53 -40.57 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.561 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.82 -39.9 93.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.303 -0.873 . . . . 0.0 109.128 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 66.0 mmm -66.77 -58.0 5.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.979 . . . . 0.0 109.641 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 tp -48.14 -41.56 27.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.385 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.62 -42.27 98.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.339 -0.851 . . . . 0.0 109.119 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.74 -38.0 86.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.845 . . . . 0.0 109.421 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -63.33 -36.34 83.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.81 -46.11 83.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 109.328 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 22' ' ' LEU . 2.1 mp -66.94 -69.29 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.078 -1.014 . . . . 0.0 109.319 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.6 ttpp -38.31 -42.51 0.72 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.665 -0.647 . . . . 0.0 110.363 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.89 -46.28 85.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.0 108.823 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' ILE . 57.6 tp -61.31 -36.4 80.02 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 108.971 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.15 -38.36 86.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 108.97 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.11 -39.96 90.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 0.0 109.287 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -70.47 -38.82 74.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 26' ' ' LEU . 2.5 tt -59.27 -47.09 86.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 108.839 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.1 p -63.29 -37.98 89.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.087 -1.008 . . . . 0.0 109.016 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -64.84 -40.39 95.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.4 -0.812 . . . . 0.0 109.109 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -63.83 -44.5 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -38.82 84.38 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.254 -0.904 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.36 -39.64 91.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.347 -0.845 . . . . 0.0 109.314 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -70.63 -49.73 44.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.128 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.423 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 97.6 mt -51.35 -38.23 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.829 -1.169 . . . . 0.0 108.966 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -68.54 -43.33 76.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.469 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -64.72 -38.31 90.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.275 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.557 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -66.6 -44.36 82.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -60.3 -42.17 94.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.67 HH12 ' NZ ' ' B' ' 42' ' ' LYS . 70.6 ttt-85 -60.79 -41.47 95.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -62.93 -42.14 99.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.777 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.02 -37.34 83.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 0.0 109.778 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.82 -54.0 41.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.204 -0.935 . . . . 0.0 109.694 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.67 ' NZ ' HH12 ' B' ' 38' ' ' ARG . 49.6 mtmt -60.24 -45.4 93.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 t -48.78 -43.19 37.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.225 -0.922 . . . . 0.0 109.287 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.444 -0.785 . . . . 0.0 109.412 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.169 0.509 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.03 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.461 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.5 mt -68.41 -39.77 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.144 -0.972 . . . . 0.0 109.836 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 0.0 109.011 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmt -60.17 -54.69 42.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.126 -0.984 . . . . 0.0 109.206 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.52 -34.96 27.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -62.65 -44.37 96.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.851 . . . . 0.0 108.839 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -65.36 -39.29 92.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.871 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.22 -43.31 92.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.251 -0.906 . . . . 0.0 109.406 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.9 -44.0 91.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 108.937 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -62.16 -70.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 76.1 tttt -40.04 -46.27 2.09 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.754 -0.591 . . . . 0.0 109.965 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.7 -46.4 85.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.986 -1.071 . . . . 0.0 109.317 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.2 -37.04 69.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.245 -0.909 . . . . 0.0 108.586 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.31 -40.35 97.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.482 -0.761 . . . . 0.0 109.206 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.68 -45.81 77.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 109.954 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -63.06 -36.5 83.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.089 -1.007 . . . . 0.0 109.42 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.31 -38.62 88.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.034 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.7 p -64.1 -39.73 94.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.58 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.62 -40.43 88.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 109.75 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -66.3 -45.66 79.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.626 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.65 -38.91 82.71 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.145 -0.972 . . . . 0.0 109.17 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.08 -38.58 91.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.883 . . . . 0.0 109.277 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.25 -48.86 69.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.208 -0.933 . . . . 0.0 109.385 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.3 mt -55.49 -34.38 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.858 -1.151 . . . . 0.0 109.012 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -65.04 -44.72 88.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.26 -45.2 81.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.382 -0.824 . . . . 0.0 108.999 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -59.87 -41.63 91.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.744 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.66 -39.41 93.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 109.634 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.81 -46.74 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.729 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.2 -33.17 75.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.938 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.13 -49.84 74.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.441 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.71 -44.05 94.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.332 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.36 -48.98 36.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.359 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 109.335 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.29 -49.41 76.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.37 -0.831 . . . . 0.0 110.095 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.51 -47.27 86.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.174 -0.954 . . . . 0.0 109.721 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.9 mtt -63.83 -55.39 23.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.06 -1.025 . . . . 0.0 109.556 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.68 -37.11 49.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.215 -0.928 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.69 -46.3 90.31 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -61.46 -35.21 76.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 108.91 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -59.35 -43.91 92.73 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.449 -0.782 . . . . 0.0 109.089 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.14 -43.42 98.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.652 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' B' ' 22' ' ' LEU . 25.8 mm -62.32 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.041 . . . . 0.0 109.715 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.8 mtpp -37.66 -40.51 0.42 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.749 -0.594 . . . . 0.0 110.579 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -63.23 -47.08 83.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.901 -1.124 . . . . 0.0 108.779 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 19' ' ' ILE . 61.9 tp -61.05 -34.21 74.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -61.56 -42.45 98.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.396 -0.815 . . . . 0.0 109.399 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -69.84 -40.67 75.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.278 -0.889 . . . . 0.0 109.695 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -67.73 -35.1 78.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.195 -0.941 . . . . 0.0 109.242 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.546 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -65.38 -43.77 89.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 108.76 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.7 t -60.14 -41.14 92.09 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.92 -37.7 79.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.367 -0.833 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -65.97 -47.17 75.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.25 -0.907 . . . . 0.0 108.968 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -57.84 -43.21 85.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 108.979 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.23 -33.73 71.35 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 108.798 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.26 -53.7 27.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.402 -0.811 . . . . 0.0 109.673 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.564 ' H ' HD12 ' B' ' 33' ' ' ILE . 2.7 mp -52.39 -35.85 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.75 -1.219 . . . . 0.0 108.561 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.76 -43.74 92.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.433 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.06 -39.16 92.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.932 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -67.55 -45.19 76.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 108.659 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -56.86 -47.68 79.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 108.911 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -61.72 -41.88 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.55 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -63.14 -41.85 99.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.568 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.58 -36.93 85.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.56 -50.77 70.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.253 -0.904 . . . . 0.0 109.436 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.69 -41.42 88.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' B' ' 44' ' ' GLN . 17.3 t -51.01 -42.16 60.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 109.899 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' B' ' 43' ' ' CYS . 21.9 pt20 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.695 -0.628 . . . . 0.0 110.456 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -57.1 -50.78 71.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.134 -0.979 . . . . 0.0 109.678 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -37.41 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.7 tt -60.9 -36.47 79.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.242 -0.911 . . . . 0.0 109.338 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 mtt -72.93 -50.29 24.4 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.848 -1.157 . . . . 0.0 109.689 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.5 -49.93 66.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.141 -0.974 . . . . 0.0 110.23 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HZ3' ' HB2' ' A' ' 15' ' ' LYS . 9.9 ptmm? -62.4 -38.31 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.725 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.81 -36.07 78.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.208 -0.932 . . . . 0.0 108.941 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.49 -37.51 87.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.346 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -62.83 -44.38 96.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 109.635 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 18.9 mm -66.83 -68.36 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.092 -1.005 . . . . 0.0 109.719 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ILE . 44.6 mttp -40.97 -44.62 2.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.637 -0.664 . . . . 0.0 109.776 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.35 -44.95 96.31 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.64 -36.7 79.31 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.82 -42.74 98.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 109.349 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.0 -41.4 95.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -68.52 -35.18 77.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.965 . . . . 0.0 109.28 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.56 -42.78 86.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.347 -0.846 . . . . 0.0 109.246 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 m -63.2 -38.68 92.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.952 . . . . 0.0 108.955 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -62.51 -40.42 96.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.398 -0.814 . . . . 0.0 109.125 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.51 -41.6 98.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.831 . . . . 0.0 109.359 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.07 -44.35 87.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.153 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.65 -38.59 89.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.875 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.7 -49.14 69.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.315 -0.866 . . . . 0.0 109.013 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -56.08 -34.58 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.858 -1.151 . . . . 0.0 108.944 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.96 -44.75 88.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.62 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -66.47 -37.2 84.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.184 -0.947 . . . . 0.0 109.27 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -67.18 -46.79 72.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -61.38 -42.33 98.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.196 -0.94 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -61.69 -42.87 99.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.1 -40.82 97.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 0.0 109.402 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.15 -37.57 87.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -60.57 -49.98 75.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.29 -45.69 90.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 0.0 109.121 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.8 m -48.64 -50.15 34.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.562 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.636 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -58.69 -48.12 82.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.724 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -39.65 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.629 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.26 -44.27 97.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.951 . . . . 0.0 108.96 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 72.5 mtp -63.27 -52.59 61.43 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.84 -37.88 45.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.425 -0.797 . . . . 0.0 108.85 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -64.97 -42.5 94.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 0.0 109.071 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.21 -40.62 90.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.364 -0.835 . . . . 0.0 109.306 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.91 -41.63 92.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.823 . . . . 0.0 109.192 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.93 -42.15 97.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.372 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 22' ' ' LEU . 96.6 mt -64.6 -70.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.697 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 17.8 tptp -39.05 -39.77 0.6 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.781 -0.575 . . . . 0.0 109.891 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.93 -44.8 84.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 108.986 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 19' ' ' ILE . 47.0 tp -62.5 -38.59 90.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.415 -0.803 . . . . 0.0 109.404 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -39.47 94.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.201 -0.937 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.99 -42.56 84.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.407 -0.808 . . . . 0.0 109.723 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -67.39 -36.26 80.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.154 -0.966 . . . . 0.0 109.25 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.92 -39.4 94.09 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.328 -0.858 . . . . 0.0 109.087 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.2 p -64.11 -41.03 97.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.277 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.401 -0.812 . . . . 0.0 109.746 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.51 -40.54 97.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.987 -1.071 . . . . 0.0 108.781 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -55.85 -43.66 77.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.34 -0.85 . . . . 0.0 108.943 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.05 -34.67 78.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.889 . . . . 0.0 109.177 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.85 -53.19 28.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.365 -0.834 . . . . 0.0 109.524 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mm -54.33 -36.79 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.817 -1.177 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.33 -47.26 80.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 109.51 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -65.66 -37.89 87.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.55 -46.6 75.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 108.901 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -59.81 -41.7 91.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.207 -0.933 . . . . 0.0 108.785 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -62.48 -36.45 82.53 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.567 -0.708 . . . . 0.0 109.242 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -64.63 -50.38 67.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.531 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.85 -34.14 76.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.158 -0.964 . . . . 0.0 109.711 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -60.9 -53.53 56.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.965 -1.084 . . . . 0.0 109.554 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.02 -39.56 83.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.442 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.71 -45.23 39.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.0 109.403 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 0.0 108.825 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -63.3 -45.83 89.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 mm -69.7 -42.99 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.786 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.82 -41.33 99.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 108.969 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 mmt -67.81 -56.41 9.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 108.918 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.06 -36.32 18.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' NZ ' ' CD1' ' B' ' 19' ' ' ILE . 54.8 tttm -65.65 -39.36 91.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.26 -37.84 88.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.39 -0.819 . . . . 0.0 109.012 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -63.01 -37.96 89.28 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.34 -0.85 . . . . 0.0 108.835 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -63.19 -42.29 99.32 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.362 -0.836 . . . . 0.0 109.023 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 85.9 mt -63.7 -73.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 109.762 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.7 ttpt -40.23 -42.39 1.49 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.595 -0.69 . . . . 0.0 110.001 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.52 -45.41 93.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.934 . . . . 0.0 108.806 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.22 -36.68 82.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.505 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.79 -40.06 87.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.946 . . . . 0.0 109.602 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -67.33 -39.59 85.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.64 -45.26 94.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.239 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -62.68 -38.84 91.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.47 -40.46 95.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -62.37 -42.61 99.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.54 -41.94 91.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.31 -36.89 83.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 109.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.34 -53.26 20.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.0 109.702 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.69 -34.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.843 -1.161 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.03 -42.94 88.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.43 -37.55 85.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -42.89 87.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 109.048 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.09 -43.31 95.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 109.752 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -63.51 -40.74 97.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.513 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.05 -41.09 97.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.54 -37.87 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.877 . . . . 0.0 109.341 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.2 -48.33 82.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 109.321 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HB3' ' HZ2' ' A' ' 42' ' ' LYS . 15.9 mtpp -63.19 -44.12 96.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.1 m -48.69 -50.26 34.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.297 -0.877 . . . . 0.0 109.412 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.081 0.467 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.22 -50.89 63.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.477 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.26 -42.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.872 . . . . 0.0 109.723 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.59 -43.47 76.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 108.614 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mmt -62.51 -50.43 71.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.345 -0.847 . . . . 0.0 108.863 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 14' ' ' LEU . 1.1 tt -51.81 -40.6 60.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -65.91 -43.87 86.89 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -65.54 -40.54 93.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.044 -1.035 . . . . 0.0 110.126 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.74 -38.49 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.983 -1.073 . . . . 0.0 109.497 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.2 -45.94 91.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.896 . . . . 0.0 109.177 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 66.5 mt -67.08 -63.85 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.41 -0.806 . . . . 0.0 109.847 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tttp -39.17 -43.89 1.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.364 0.602 . . . . 0.0 109.883 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.61 -46.23 89.23 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' ILE . 59.3 tp -58.7 -36.86 74.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.462 -0.774 . . . . 0.0 109.192 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.36 -43.35 99.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.42 -41.86 88.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.26 -0.9 . . . . 0.0 109.757 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -68.1 -35.65 78.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.175 -0.953 . . . . 0.0 109.423 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.514 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -61.98 -44.36 96.89 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.171 -0.956 . . . . 0.0 108.723 179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -61.47 -41.57 97.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.069 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.16 -40.5 94.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -61.25 -48.3 82.07 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.294 -0.879 . . . . 0.0 109.071 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -57.94 -39.17 77.4 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.523 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.21 -38.78 80.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -67.51 -50.49 58.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 109.614 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.73 -38.07 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.554 -1.341 . . . . 0.0 109.067 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.13 -46.15 74.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.741 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.7 -39.7 94.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 0.0 109.582 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.6 -42.62 82.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.88 . . . . 0.0 109.056 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -61.67 -42.89 99.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.193 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -62.47 -40.23 95.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.311 -0.868 . . . . 0.0 108.94 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -65.7 -41.82 91.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.19 -36.62 83.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 0.0 109.177 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -62.52 -47.15 85.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.102 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.75 -45.68 92.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.896 . . . . 0.0 109.22 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 80.6 m -49.9 -49.97 47.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.27 -0.894 . . . . 0.0 109.201 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.432 -0.792 . . . . 0.0 109.385 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.29 0.567 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.88 -48.31 81.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.11 -40.3 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.949 . . . . 0.0 109.877 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 12' ' ' LEU . 4.0 tt -61.29 -46.78 88.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.122 -0.986 . . . . 0.0 108.936 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.23 -56.03 26.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.08 -1.013 . . . . 0.0 109.396 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -50.96 -37.67 45.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 108.999 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -62.31 -42.15 99.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.825 . . . . 0.0 108.98 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.08 -37.18 85.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -0.857 . . . . 0.0 109.086 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -63.58 -38.26 90.47 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.845 . . . . 0.0 109.035 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -63.85 -43.87 94.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.373 -0.83 . . . . 0.0 109.11 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LEU . 98.3 mt -62.88 -71.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.264 -0.898 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 49.5 tttp -40.26 -40.93 1.23 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.728 -0.607 . . . . 0.0 109.914 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.21 -46.72 87.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 0.0 108.729 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 40.9 tp -60.08 -35.14 74.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.415 -0.803 . . . . 0.0 109.129 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.59 -40.89 98.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.85 -45.07 83.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 109.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -68.13 -36.77 80.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -0.968 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.02 -40.92 95.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.31 -0.869 . . . . 0.0 109.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 m -64.49 -38.35 90.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.417 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.69 -42.17 95.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HZ3' HD11 ' B' ' 26' ' ' LEU . 33.6 ttpt -62.32 -43.05 99.72 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.225 -0.922 . . . . 0.0 108.994 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.81 -40.34 83.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.318 -0.864 . . . . 0.0 109.138 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.073 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -70.5 -57.24 4.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' B' ' 33' ' ' ILE . 26.9 mm -54.81 -32.3 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.75 -1.219 . . . . 0.0 109.14 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -67.92 -41.86 81.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -0.849 . . . . 0.0 109.607 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -66.7 -38.27 86.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 109.69 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.07 -41.56 86.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.929 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -63.1 -41.96 99.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -63.57 -39.61 94.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.592 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.47 -32.5 74.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.579 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -63.45 -50.24 70.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.207 -0.933 . . . . 0.0 109.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.51 -44.83 95.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 0.0 109.214 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -49.74 -49.69 47.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.489 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.246 0.546 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -58.82 -45.65 89.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 0.0 109.739 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.43 -40.24 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.263 -0.898 . . . . 0.0 109.643 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.0 OUTLIER -61.54 -44.0 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.189 -0.944 . . . . 0.0 108.83 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mmm -62.54 -53.1 59.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.116 -0.99 . . . . 0.0 109.271 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -50.49 -41.32 53.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.233 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.3 -40.75 96.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -65.29 -37.73 88.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.53 -40.25 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.242 -0.911 . . . . 0.0 109.598 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -63.34 -43.3 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.7 mt -64.67 -69.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 0.0 109.773 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.9 ttmt -39.96 -43.55 1.55 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.665 -0.647 . . . . 0.0 110.013 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.09 -46.51 90.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -58.66 -36.55 74.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.858 . . . . 0.0 108.831 179.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -62.29 -42.2 99.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.31 -43.84 89.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.262 -0.899 . . . . 0.0 109.834 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.12 -35.65 81.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 109.068 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.462 HD11 ' HZ3' ' A' ' 29' ' ' LYS . 7.9 tp -65.31 -41.12 94.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.166 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -62.08 -41.09 97.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.208 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.0 -40.83 91.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.36 -0.837 . . . . 0.0 109.46 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.41 -44.43 96.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.258 -0.901 . . . . 0.0 108.924 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.68 -39.71 81.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.402 -0.811 . . . . 0.0 109.186 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 0.0 109.17 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.19 -53.58 23.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.679 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' A' ' 33' ' ' ILE . 23.8 mm -56.17 -35.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.807 -1.183 . . . . 0.0 109.563 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -65.59 -44.42 86.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 0.0 109.689 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.51 -37.51 86.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.26 -0.9 . . . . 0.0 109.669 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.44 -42.58 87.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.202 -0.936 . . . . 0.0 109.094 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -59.09 -43.8 91.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.305 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.49 -35.98 82.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.249 -0.907 . . . . 0.0 108.732 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.32 -51.57 67.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.96 -32.04 73.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 109.177 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.67 -47.33 82.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 108.985 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.85 -44.01 82.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.193 -0.942 . . . . 0.0 109.429 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.3 m -50.2 -53.35 28.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 N--CA 1.496 1.834 0 O-C-N 121.355 -0.841 . . . . 0.0 109.526 -179.529 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.84 -46.29 84.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.11 -41.35 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.976 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.99 -43.6 98.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.114 -0.991 . . . . 0.0 108.85 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -63.88 -54.09 40.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.105 -0.997 . . . . 0.0 108.92 179.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -50.2 -38.02 37.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.162 -0.961 . . . . 0.0 108.855 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.11 -41.34 97.29 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 108.983 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.56 -39.9 92.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.67 -37.8 88.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.306 -0.871 . . . . 0.0 109.261 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -61.34 -48.28 82.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 108.954 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 74.3 mt -63.97 -66.02 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.201 -0.937 . . . . 0.0 110.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.2 ttpp -39.07 -42.87 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.722 -0.611 . . . . 0.0 110.156 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.78 -46.92 83.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -0.982 . . . . 0.0 109.028 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.85 -35.86 79.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.374 -0.829 . . . . 0.0 109.167 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.64 -39.48 93.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -66.13 -42.9 88.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.842 . . . . 0.0 109.69 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -67.1 -34.68 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 109.44 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -63.75 -43.21 97.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 108.779 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -62.31 -40.91 97.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -37.89 88.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 0.0 109.594 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.21 -44.39 95.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -58.68 -43.74 90.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.204 -0.935 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -58.87 -36.47 74.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.869 . . . . 0.0 109.052 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.47 -54.85 12.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.57 -34.65 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.88 -1.138 . . . . 0.0 108.906 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -66.28 -46.92 75.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.359 -0.838 . . . . 0.0 109.59 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.76 -38.45 86.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.4 -39.1 88.81 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.272 -0.892 . . . . 0.0 108.735 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.31 -44.65 92.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.479 -0.763 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -64.13 -36.25 83.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -63.5 -46.28 86.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.01 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.99 -34.85 79.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.985 -1.072 . . . . 0.0 109.592 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.46 -49.31 78.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -65.28 -44.38 88.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.602 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.1 m -48.11 -47.67 34.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 0.0 109.561 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 109.756 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.45 -46.39 88.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.343 -0.848 . . . . 0.0 109.67 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.53 -40.17 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.82 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.533 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.2 tt -61.16 -43.31 99.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 109.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.96 -54.13 46.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.141 -0.975 . . . . 0.0 109.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.35 -39.59 32.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 109.004 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.07 -44.32 96.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 20' ' ' LYS . 84.5 tt0 -62.35 -38.53 89.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.77 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -65.14 -36.29 83.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -63.2 -46.51 86.72 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.353 -0.842 . . . . 0.0 109.77 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' B' ' 22' ' ' LEU . 29.9 mm -66.99 -67.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 109.934 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 16' ' ' GLU . 93.7 mttt -39.57 -40.47 0.88 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.616 -0.677 . . . . 0.0 110.031 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.41 -46.88 84.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 0.0 108.668 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' ILE . 53.7 tp -63.38 -35.03 79.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.358 -0.838 . . . . 0.0 109.119 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -61.3 -40.45 94.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 0.0 109.148 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.95 -40.3 87.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.341 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -67.09 -38.54 85.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -63.7 -41.67 98.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 108.92 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -63.13 -41.51 99.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 109.461 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -63.04 -39.67 95.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.327 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -64.81 -41.69 95.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.326 -0.859 . . . . 0.0 109.114 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.11 -47.36 75.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 108.86 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -32.3 73.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.34 -0.85 . . . . 0.0 108.931 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -68.95 -53.04 23.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.726 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.78 -35.5 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.909 -1.12 . . . . 0.0 109.652 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.02 -43.17 79.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.048 . . . . 0.0 109.724 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.29 -40.24 93.41 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.185 -0.947 . . . . 0.0 109.171 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 tp -67.1 -43.56 82.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 109.222 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -63.52 -44.33 94.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.164 -0.96 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.84 -41.01 94.97 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -58.98 -42.95 91.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 108.99 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.62 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -63.89 -38.97 93.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 0.0 108.98 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -58.86 -50.48 73.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -0.917 . . . . 0.0 108.722 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -64.36 -46.79 81.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.49 -0.756 . . . . 0.0 109.657 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' B' ' 44' ' ' GLN . 12.7 t -51.31 -52.2 47.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.086 -1.008 . . . . 0.0 108.95 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' B' ' 43' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.495 -0.753 . . . . 0.0 109.514 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -60.46 -44.89 95.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -67.4 -42.49 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 0.0 109.945 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.03 -47.34 86.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 0.0 108.562 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.65 -52.88 58.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.064 -1.023 . . . . 0.0 108.999 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.26 -36.21 40.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 108.906 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.72 -41.57 99.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 108.881 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -63.05 -40.43 97.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.322 -0.861 . . . . 0.0 109.378 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.38 -37.87 80.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.303 -0.873 . . . . 0.0 109.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -42.96 99.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.092 -1.005 . . . . 0.0 109.168 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 85.5 mt -65.64 -69.73 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.418 -0.802 . . . . 0.0 109.986 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 54.9 mtpt -40.89 -46.88 2.86 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.614 -0.679 . . . . 0.0 110.26 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.18 -44.8 95.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.999 -1.063 . . . . 0.0 109.031 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.13 -35.7 71.88 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -62.98 -40.86 99.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.0 109.315 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -65.05 -42.89 93.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 0.0 109.714 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -68.02 -38.23 82.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.36 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 108.951 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.3 p -64.08 -37.93 89.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 109.326 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -65.92 -40.7 91.7 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.196 -0.94 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -63.98 -43.8 94.64 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.319 -0.863 . . . . 0.0 109.076 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -57.84 -42.75 85.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.278 -0.889 . . . . 0.0 109.169 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.23 -35.88 80.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.24 -0.913 . . . . 0.0 109.314 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -67.29 -52.21 43.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.271 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.52 -36.28 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.865 -1.147 . . . . 0.0 109.109 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -69.16 -43.24 74.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 109.89 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.27 -42.79 96.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 109.753 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.61 -42.03 92.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 108.509 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.58 -41.33 94.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.331 -0.856 . . . . 0.0 109.281 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -39.63 91.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.331 -0.856 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -60.34 -50.44 73.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.264 -0.898 . . . . 0.0 109.473 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.7 mm? -67.05 -33.46 75.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.324 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.81 -48.83 78.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -64.5 -43.91 92.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.466 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.1 m -48.78 -50.17 35.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.27 -0.894 . . . . 0.0 109.548 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.153 0.501 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -49.76 -58.36 5.5 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.927 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.38 -37.29 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.388 -0.82 . . . . 0.0 110.426 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.73 -43.84 94.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.106 -0.996 . . . . 0.0 110.051 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 82.6 mmm -68.32 -51.38 45.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.928 -1.107 . . . . 0.0 109.292 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.523 HD23 ' O ' ' B' ' 14' ' ' LEU . 1.2 tt -48.51 -45.24 36.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 109.194 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -62.73 -40.06 96.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 0.0 109.407 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.39 -37.73 87.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.342 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -68.14 -36.46 79.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.377 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -63.41 -43.08 98.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 109.124 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' B' ' 20' ' ' LYS . 84.3 mt -66.94 -68.02 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.305 -0.872 . . . . 0.0 109.325 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 19' ' ' ILE . 50.2 tttp -40.68 -45.03 2.29 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.706 -0.621 . . . . 0.0 109.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -59.36 -46.51 88.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 108.782 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -61.07 -37.06 81.31 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.08 -40.48 85.37 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.163 -0.961 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -66.76 -45.25 79.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.726 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -65.71 -36.42 83.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.062 -1.024 . . . . 0.0 109.392 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.62 -42.03 99.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.245 -0.91 . . . . 0.0 109.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.3 p -65.54 -38.51 89.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.163 -0.96 . . . . 0.0 109.586 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 109.822 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.63 -41.68 95.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.558 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -55.96 -49.05 74.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 109.182 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.64 -36.44 78.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.286 -0.884 . . . . 0.0 109.826 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.72 -49.84 60.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.618 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.77 -33.75 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.766 -1.209 . . . . 0.0 108.944 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.9 -42.92 84.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.852 . . . . 0.0 109.504 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -64.55 -38.23 90.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.885 . . . . 0.0 109.734 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.96 -42.37 90.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.935 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -63.01 -42.13 99.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.313 -0.867 . . . . 0.0 109.448 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.41 ' HE ' ' NZ ' ' B' ' 42' ' ' LYS . 79.3 ttt180 -61.01 -41.78 97.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 109.7 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -60.68 -44.82 96.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.0 109.579 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.673 ' O ' HD23 ' B' ' 40' ' ' LEU . 2.9 tt -61.23 -38.36 86.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.03 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -50.13 74.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.227 -0.921 . . . . 0.0 110.032 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.41 ' NZ ' ' HE ' ' B' ' 38' ' ' ARG . 30.0 mmtm -68.29 -47.26 68.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.123 -0.986 . . . . 0.0 110.239 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 7.3 p -47.79 -43.87 28.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.031 -1.043 . . . . 0.0 109.623 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.574 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 15.3 tm0? . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -58.43 -45.97 87.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.392 -0.818 . . . . 0.0 109.569 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.15 -45.94 78.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.314 -0.866 . . . . 0.0 110.194 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.49 -40.97 75.83 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.948 -1.095 . . . . 0.0 108.775 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.3 mtp -59.05 -50.19 75.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 0.0 108.534 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 tp -55.29 -40.54 71.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 109.76 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -63.45 -42.76 98.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.085 -1.009 . . . . 0.0 109.632 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -64.28 -39.31 93.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.149 -0.97 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.24 -37.23 86.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 108.87 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -62.09 -49.41 76.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.767 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . 89.5 mt -63.36 -67.3 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.147 -0.971 . . . . 0.0 109.574 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.6 tttm -39.02 -41.44 0.78 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.251 0.548 . . . . 0.0 109.73 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 25' ' ' ARG . 69.2 tt0 -63.17 -49.58 73.74 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' ILE . 60.7 tp -58.99 -35.48 73.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.419 -0.801 . . . . 0.0 108.912 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.93 -39.56 93.69 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.404 -0.81 . . . . 0.0 109.762 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -64.54 -45.46 87.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 109.553 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 21' ' ' GLU . 96.3 mtt180 -67.62 -35.07 78.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.478 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.52 -40.91 85.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 108.872 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.3 t -61.69 -42.24 98.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.94 -38.4 90.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.0 109.403 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -65.25 -44.92 86.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.062 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.16 -45.13 71.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.306 -0.871 . . . . 0.0 109.232 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.42 -31.21 72.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.117 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -69.16 -58.12 4.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' B' ' 33' ' ' ILE . 22.7 mm -55.99 -31.44 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.79 -1.194 . . . . 0.0 109.085 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -64.83 -42.57 94.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.31 -0.869 . . . . 0.0 109.249 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.49 -37.13 84.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.567 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.31 -45.18 81.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.323 -0.86 . . . . 0.0 108.955 179.711 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -58.8 -43.26 90.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.939 . . . . 0.0 109.396 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -63.07 -38.46 91.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.862 . . . . 0.0 109.47 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.59 -47.39 85.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.301 -0.875 . . . . 0.0 109.751 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.83 -34.01 77.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.155 -0.965 . . . . 0.0 109.77 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.51 -48.54 80.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.11 -0.994 . . . . 0.0 109.154 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.19 -44.57 91.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.322 -0.861 . . . . 0.0 109.533 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.0 t -49.41 -49.73 43.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.547 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.704 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.371 0.605 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -62.54 -42.62 99.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 0.0 109.763 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.55 -43.2 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.516 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.511 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -59.51 -41.97 91.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 108.643 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -59.52 -50.8 72.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.075 -1.016 . . . . 0.0 109.23 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 14' ' ' LEU . 1.2 tt -50.15 -43.18 51.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.415 -0.803 . . . . 0.0 109.248 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -60.47 -46.14 91.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -63.48 -40.0 95.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.16 -0.962 . . . . 0.0 109.182 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -62.66 -40.63 97.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.829 . . . . 0.0 109.604 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.97 -42.89 99.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' B' ' 20' ' ' LYS . 76.6 mt -64.72 -68.16 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 0.0 109.966 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' B' ' 19' ' ' ILE . 65.2 tttm -40.31 -46.22 2.28 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.748 -0.595 . . . . 0.0 110.143 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -60.09 -46.96 87.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 0.0 108.856 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.542 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -60.61 -36.62 79.02 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -59.22 -42.09 90.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -68.01 -40.9 82.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.131 -0.98 . . . . 0.0 109.757 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -67.08 -37.98 84.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.59 -39.14 84.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.372 -0.83 . . . . 0.0 109.175 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 99.1 p -64.01 -39.82 94.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.141 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -66.08 -38.14 87.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -64.38 -46.2 84.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.221 -0.925 . . . . 0.0 108.936 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -54.6 -41.69 70.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 0.0 108.971 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.37 -33.44 75.97 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.307 -0.87 . . . . 0.0 109.453 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -71.42 -53.67 13.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.185 -0.947 . . . . 0.0 109.672 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.54 HD12 HD12 ' A' ' 33' ' ' ILE . 26.0 mm -55.11 -32.71 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.71 -1.244 . . . . 0.0 108.756 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -67.77 -41.95 82.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -65.1 -38.56 91.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.211 -0.931 . . . . 0.0 109.448 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -41.84 88.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.861 . . . . 0.0 108.724 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.04 -45.33 87.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -64.45 -40.93 96.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.0 109.415 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -61.46 -41.6 97.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.534 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -68.09 -38.24 82.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 0.0 109.22 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -58.11 -47.62 82.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -64.43 -43.17 95.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 84.4 m -48.13 -50.9 27.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.308 -0.87 . . . . 0.0 109.569 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.352 -0.843 . . . . 0.0 109.168 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.314 0.578 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -62.31 -45.42 93.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.252 -0.905 . . . . 0.0 109.867 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.43 -41.89 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.102 -0.999 . . . . 0.0 109.298 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.0 -40.4 97.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.296 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 68.8 mtp -64.75 -55.47 19.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -49.92 -37.15 30.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 108.763 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.45 -38.8 90.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -66.3 -39.9 89.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.487 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -63.92 -38.56 91.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.0 109.484 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.16 -42.26 93.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.303 -0.873 . . . . 0.0 109.593 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' LYS . 91.3 mt -63.58 -68.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.923 . . . . 0.0 109.705 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' ILE . 9.8 mtmp? -41.51 -42.28 2.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.502 -0.749 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 47.9 tp10 -61.68 -46.84 88.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.344 -0.848 . . . . 0.0 108.932 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.05 -37.07 73.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 109.096 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.42 -42.41 95.97 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 109.106 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 21' ' ' GLU . 8.1 ttpm? -64.96 -43.93 91.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.382 -0.823 . . . . 0.0 109.485 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.53 -40.18 96.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.416 -0.802 . . . . 0.0 109.531 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.43 -35.46 73.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.123 -0.985 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.5 p -61.34 -44.32 97.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.904 . . . . 0.0 110.107 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.36 -34.59 72.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.003 -1.061 . . . . 0.0 109.55 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.16 -45.63 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.161 -0.962 . . . . 0.0 108.769 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -61.89 -41.05 97.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 109.32 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.16 -35.63 71.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 109.242 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.26 -49.8 58.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 109.477 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -53.72 -36.67 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.792 -1.193 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.49 -45.47 83.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -66.45 -38.0 86.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.361 -0.837 . . . . 0.0 109.444 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.6 tt -65.07 -44.59 88.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 0.0 108.834 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -59.02 -43.22 91.54 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.943 . . . . 0.0 109.357 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' NE ' ' HZ1' ' A' ' 42' ' ' LYS . 45.5 ttt85 -62.73 -42.49 99.69 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 0.0 109.186 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.71 -44.62 95.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.297 -0.877 . . . . 0.0 109.376 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.0 -35.82 81.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.287 -0.883 . . . . 0.0 109.317 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -61.68 -48.17 82.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.889 . . . . 0.0 109.168 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' HZ1' ' NE ' ' A' ' 38' ' ' ARG . 62.5 mttp -63.56 -43.92 95.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.232 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.71 -51.13 30.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.317 -0.864 . . . . 0.0 109.313 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -55.14 37.8 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.83 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 67.2 mt -60.41 -46.09 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.104 -0.997 . . . . 0.0 110.387 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.67 -42.9 75.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.951 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 28.4 mtt -66.41 -51.5 56.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.995 -1.066 . . . . 0.0 109.449 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -47.21 -39.93 15.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.914 . . . . 0.0 108.833 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.83 ' HG2' ' O ' ' B' ' 11' ' ' ILE . 65.0 mmtt -67.74 -41.25 83.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.228 -0.92 . . . . 0.0 108.755 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -61.71 -43.37 98.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.387 -0.82 . . . . 0.0 110.228 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.24 -35.56 79.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.063 -1.023 . . . . 0.0 109.898 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.98 -43.4 98.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.074 -1.016 . . . . 0.0 109.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' B' ' 20' ' ' LYS . 38.2 mm -66.86 -64.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 110.016 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' B' ' 19' ' ' ILE . 79.0 tttt -39.65 -43.17 1.31 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.536 -0.727 . . . . 0.0 110.097 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.62 -48.21 81.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.094 -1.004 . . . . 0.0 108.922 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.13 -33.54 74.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -62.85 -42.55 99.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.564 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.19 -40.77 94.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.95 -35.75 78.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.165 -0.959 . . . . 0.0 108.905 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -59.89 -47.34 86.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.4 -0.813 . . . . 0.0 108.971 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 81.0 p -62.37 -39.78 94.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.143 -0.973 . . . . 0.0 109.421 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.48 -39.07 88.58 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 109.412 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -62.47 -45.25 93.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -0.841 . . . . 0.0 108.976 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -59.59 -38.47 81.3 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.418 -0.801 . . . . 0.0 109.047 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.12 -39.22 89.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.421 -0.799 . . . . 0.0 109.243 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.91 -51.51 47.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.56 -37.88 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.852 -1.155 . . . . 0.0 109.11 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.79 -45.33 78.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 0.0 109.485 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -63.26 -40.3 97.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 0.0 109.26 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.74 -41.97 82.55 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.278 -0.889 . . . . 0.0 108.689 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -61.33 -44.8 96.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -0.839 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -64.09 -41.32 97.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.025 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -64.04 -40.3 96.0 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.4 -0.812 . . . . 0.0 109.174 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -62.97 -36.78 84.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 0.0 108.937 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -62.68 -50.65 70.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.159 -0.963 . . . . 0.0 109.15 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.62 -44.52 93.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.2 t -48.25 -45.26 34.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.301 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.277 -0.889 . . . . 0.0 108.988 179.627 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.134 0.492 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.57 -50.33 74.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.135 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.65 -38.96 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 0.0 109.374 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.92 -37.63 80.02 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.602 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.44 -54.97 11.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.53 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -48.24 -39.59 21.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.26 -0.9 . . . . 0.0 109.215 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -65.64 -43.78 88.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.373 -0.829 . . . . 0.0 109.338 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.5 -40.66 96.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.01 -38.39 90.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.33 -42.61 96.03 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.027 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LEU . 96.7 mt -63.84 -67.25 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.377 -0.827 . . . . 0.0 109.72 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' ILE . 6.9 ttpm? -36.16 -44.88 0.41 Allowed 'General case' 0 N--CA 1.504 2.242 0 CA-C-O 121.125 0.488 . . . . 0.0 110.504 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -65.79 -44.28 86.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -0.921 . . . . 0.0 109.418 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.74 -37.88 85.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 108.945 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.78 -42.64 94.91 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.169 -0.957 . . . . 0.0 109.321 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.91 -42.63 89.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.245 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -65.45 -35.63 81.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.299 -0.876 . . . . 0.0 109.113 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.6 -40.6 84.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.371 -0.83 . . . . 0.0 109.405 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 m -63.3 -43.09 98.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 0.0 109.169 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.41 -36.88 83.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.359 -0.838 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -63.5 -44.73 93.49 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.285 -0.884 . . . . 0.0 109.162 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.45 -40.03 89.69 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 109.551 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.49 -38.12 88.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 0.0 109.526 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -66.96 -48.63 67.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.1 mt -54.92 -33.89 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 120.865 -1.147 . . . . 0.0 108.942 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -68.82 -44.05 74.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.367 -0.833 . . . . 0.0 109.758 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -43.02 97.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.517 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.0 -42.04 81.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 109.272 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -61.74 -41.97 98.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.804 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -65.93 -36.72 84.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.905 . . . . 0.0 109.615 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -60.18 -50.57 73.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -67.52 -31.61 71.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.121 -0.987 . . . . 0.0 109.418 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -61.95 -49.55 75.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 109.225 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -63.75 -44.08 94.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.0 109.378 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -49.23 -45.55 44.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.486 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.681 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.21 -53.46 56.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.059 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -66.3 -41.63 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.059 -1.025 . . . . 0.0 109.785 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 tp -55.73 -39.33 70.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.1 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.8 mmm -66.69 -49.07 67.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.146 -0.971 . . . . 0.0 109.148 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -52.21 -43.24 64.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -63.47 -44.51 94.24 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.112 -0.993 . . . . 0.0 109.855 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.72 -39.38 94.15 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.29 -39.68 94.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.57 -0.706 . . . . 0.0 109.535 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -62.06 -42.74 99.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.453 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 81.7 mt -66.05 -68.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.954 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 12.5 ttmm -40.58 -47.31 2.69 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.9 -44.3 94.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.211 -0.931 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 19' ' ' ILE . 15.2 tp -59.86 -35.65 75.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.184 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -62.63 -42.17 99.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.216 -0.927 . . . . 0.0 109.269 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -64.48 -42.56 95.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 109.074 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -65.47 -39.63 92.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.473 -0.767 . . . . 0.0 109.579 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.0 -37.53 84.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.2 -0.937 . . . . 0.0 109.223 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.9 t -63.02 -43.78 97.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 109.846 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.28 -39.8 89.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -64.06 -45.19 89.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.243 -0.911 . . . . 0.0 108.852 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.99 -39.22 84.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.436 -0.79 . . . . 0.0 109.048 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -36.94 79.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 0.0 109.2 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.57 -51.95 44.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.9 mt -52.76 -36.0 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.738 -1.226 . . . . 0.0 109.48 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -67.73 -43.96 78.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.0 109.637 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.76 -39.06 93.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.385 -0.822 . . . . 0.0 109.37 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.99 -44.47 80.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -59.58 -41.43 90.21 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.258 -0.901 . . . . 0.0 109.571 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -62.83 -42.0 99.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 109.986 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -59.89 -46.47 89.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.034 -1.041 . . . . 0.0 110.094 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -68.68 -34.31 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.084 -1.01 . . . . 0.0 109.841 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -58.67 -48.04 82.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.374 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.13 -43.92 73.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 t -46.78 -42.91 17.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.165 -0.96 . . . . 0.0 109.741 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.807 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -61.34 -44.59 96.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 0.0 109.997 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.5 mt -69.48 -42.81 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.942 . . . . 0.0 110.049 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.0 tt -59.79 -37.09 78.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.21 -52.93 56.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.157 -0.964 . . . . 0.0 109.362 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.99 -43.36 63.56 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.071 -1.018 . . . . 0.0 108.796 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -64.98 -44.69 88.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.211 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -61.47 -38.61 87.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.378 -0.826 . . . . 0.0 109.791 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -71.08 -33.51 70.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.131 -0.981 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -61.51 -45.84 92.51 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.328 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.0 mm -67.11 -63.37 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.293 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ILE . 78.9 tttt -38.49 -43.83 0.88 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.714 -0.616 . . . . 0.0 110.011 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.72 -47.38 78.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.06 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -59.92 -38.48 82.48 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -59.22 -39.41 82.6 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.202 -0.936 . . . . 0.0 108.995 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -66.46 -42.74 87.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.343 -0.848 . . . . 0.0 109.549 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -67.77 -38.72 83.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.187 -0.946 . . . . 0.0 109.384 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -56.74 -47.53 79.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 108.614 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -61.46 -39.54 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.093 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -61.78 -44.58 96.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.872 . . . . 0.0 109.71 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.96 -43.3 99.16 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.874 . . . . 0.0 109.727 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -56.11 -44.15 78.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.08 -1.012 . . . . 0.0 109.12 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.29 -33.94 76.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.232 -0.918 . . . . 0.0 109.057 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.47 -54.7 17.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.88 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.58 -34.51 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.744 -1.223 . . . . 0.0 109.071 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -66.86 -45.85 76.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.355 -0.841 . . . . 0.0 109.681 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -63.42 -40.69 97.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.0 109.693 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.27 -42.54 93.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -0.887 . . . . 0.0 109.476 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -61.07 -41.14 96.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.064 -1.023 . . . . 0.0 109.548 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.6 -40.16 96.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -0.88 . . . . 0.0 109.689 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -60.24 -51.53 69.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -67.77 -32.25 72.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.071 -1.018 . . . . 0.0 109.489 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -60.97 -49.54 77.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.64 -44.39 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 0.0 109.403 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 73.3 m -48.28 -50.34 30.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -0.858 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.199 -0.938 . . . . 0.0 109.525 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -60.03 -45.53 92.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.671 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -66.72 -41.98 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.728 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.4 tt -60.66 -38.18 84.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.108 -0.995 . . . . 0.0 108.716 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.3 mtt -62.88 -54.41 39.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.595 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.5 tp -50.61 -42.23 55.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -63.75 -42.58 97.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.141 -0.975 . . . . 0.0 109.29 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -65.43 -40.75 93.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.0 109.607 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -64.43 -38.86 92.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.194 -0.941 . . . . 0.0 109.36 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.06 -41.85 99.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' B' ' 20' ' ' LYS . 88.8 mt -66.66 -69.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.615 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 59.1 tttm -39.02 -41.38 0.77 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.702 -0.623 . . . . 0.0 109.879 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' B' ' 25' ' ' ARG . 83.9 tt0 -66.17 -46.34 77.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.878 . . . . 0.0 109.038 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 45.0 tp -61.08 -36.51 79.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.411 -0.806 . . . . 0.0 108.971 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.43 -40.22 95.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 109.15 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.17 -41.2 94.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.355 -0.84 . . . . 0.0 109.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' B' ' 21' ' ' GLU . 97.6 mtt180 -69.24 -36.33 77.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.283 -0.885 . . . . 0.0 109.265 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.494 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -62.04 -45.87 91.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.0 108.63 179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.0 m -61.63 -40.35 94.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.291 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -65.75 -38.85 90.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.362 -0.836 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -63.41 -43.26 98.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.446 -0.784 . . . . 0.0 109.264 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -59.82 -42.53 93.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.268 -0.895 . . . . 0.0 108.808 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.22 -54.28 18.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.325 -0.859 . . . . 0.0 109.147 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.0 -35.82 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.833 -1.167 . . . . 0.0 109.098 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -67.11 -44.25 80.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.501 -0.749 . . . . 0.0 109.601 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.03 -38.45 91.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.0 109.526 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -68.66 -44.7 73.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 108.888 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -61.62 -43.41 98.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -63.32 -35.69 81.21 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.75 -52.61 59.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 109.701 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.53 -32.66 74.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.103 -0.998 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -58.05 -47.31 83.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.163 -0.96 . . . . 0.0 108.882 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -69.67 -43.26 72.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.217 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 69.3 m -47.48 -45.4 26.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.127 -0.983 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.609 -0.682 . . . . 0.0 109.198 179.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.247 0.546 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -59.08 -45.66 90.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.27 -0.894 . . . . 0.0 109.828 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.7 mm -65.88 -40.98 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.88 . . . . 0.0 109.878 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.6 -45.08 95.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 109.58 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.23 -51.62 65.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.21 -0.931 . . . . 0.0 109.305 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -50.83 -39.99 54.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 108.836 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -65.04 -41.56 95.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.072 -1.018 . . . . 0.0 109.491 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -66.74 -39.99 88.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -61.5 -42.43 98.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.185 -0.947 . . . . 0.0 109.039 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.6 HD13 ' NZ ' ' B' ' 15' ' ' LYS . 90.5 mt -66.76 -66.74 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.849 . . . . 0.0 109.68 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ILE . 20.0 tptp -39.51 -42.57 1.15 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.721 -0.612 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.92 -46.24 88.71 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.0 108.994 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ILE . 61.9 tp -60.98 -32.71 72.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.893 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -63.8 -43.83 95.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.161 -0.962 . . . . 0.0 109.377 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.4 -40.39 93.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.357 -0.839 . . . . 0.0 109.318 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.98 -46.69 87.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.324 -0.86 . . . . 0.0 108.964 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 m -64.03 -37.71 88.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.28 -0.888 . . . . 0.0 109.127 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -58.99 -49.16 78.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.345 -0.847 . . . . 0.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -64.93 -40.86 95.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.15 -0.968 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.62 -42.11 91.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.445 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.56 -38.52 91.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.422 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -67.97 -48.82 64.78 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.898 . . . . 0.0 109.004 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.55 -34.27 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.888 -1.132 . . . . 0.0 109.037 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.55 -42.94 81.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.311 -0.868 . . . . 0.0 109.247 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -65.99 -38.88 89.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.08 -41.86 94.63 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 109.16 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -62.89 -40.58 97.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.318 -0.864 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -62.07 -41.59 98.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -61.87 -47.61 84.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.762 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.91 -34.17 76.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.21 -0.931 . . . . 0.0 109.485 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -62.25 -50.91 69.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.336 -0.852 . . . . 0.0 109.367 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.14 -43.36 92.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.939 . . . . 0.0 109.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 t -48.42 -47.04 38.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -0.913 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.307 -0.871 . . . . 0.0 109.392 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -60.88 -46.39 90.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.519 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.48 -42.54 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.208 -0.932 . . . . 0.0 110.006 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.21 -42.7 91.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 109.71 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -65.44 -54.45 28.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -48.98 -37.26 19.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.6 ' NZ ' HD13 ' A' ' 19' ' ' ILE . 14.6 tptm -66.62 -40.8 88.95 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.659 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.96 -43.21 91.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.095 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -62.8 -37.34 86.34 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.349 -0.844 . . . . 0.0 109.58 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.07 -45.21 89.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.281 -0.887 . . . . 0.0 109.802 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' B' ' 22' ' ' LEU . 32.4 mm -67.27 -67.75 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.728 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 19' ' ' ILE . 77.8 tttt -40.28 -42.51 1.54 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.635 -0.665 . . . . 0.0 109.727 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.8 -44.96 95.82 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.491 HD11 HH21 ' B' ' 25' ' ' ARG . 63.6 tp -63.43 -34.11 77.04 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.52 -0.738 . . . . 0.0 109.246 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.34 -43.52 98.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 109.606 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -66.96 -37.76 84.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.491 HH21 HD11 ' B' ' 22' ' ' LEU . 61.9 ttp85 -67.99 -39.18 83.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.31 -0.869 . . . . 0.0 108.933 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -65.54 -41.52 92.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.387 -0.82 . . . . 0.0 109.079 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.0 p -65.02 -37.89 89.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.251 -0.906 . . . . 0.0 108.924 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.65 -39.86 73.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.11 -45.93 83.14 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -58.05 -38.73 76.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 108.498 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -60.96 -36.32 79.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.46 -0.775 . . . . 0.0 109.014 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -68.3 -52.34 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.316 -0.865 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 33.2 mm -52.24 -35.79 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.821 -1.174 . . . . 0.0 108.668 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -66.13 -44.52 83.99 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.384 -0.823 . . . . 0.0 109.295 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -63.86 -41.57 97.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.347 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 tp -66.39 -43.16 86.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.893 . . . . 0.0 108.824 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.73 -44.01 90.34 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.376 -0.827 . . . . 0.0 109.178 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -62.63 -39.55 94.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.392 -0.817 . . . . 0.0 109.326 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -59.84 -44.34 94.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.79 -35.04 79.58 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.217 -0.927 . . . . 0.0 109.785 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.82 -50.68 72.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.992 . . . . 0.0 109.063 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.05 -43.42 87.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.169 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.29 -49.61 42.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.0 109.374 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.24 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.23 -47.38 83.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.29 -0.881 . . . . 0.0 110.02 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.3 -40.49 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.179 -0.951 . . . . 0.0 110.011 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tp -64.25 -43.84 93.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 109.813 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -61.96 -56.5 18.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.112 -0.992 . . . . 0.0 109.545 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -50.16 -35.42 26.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 0.0 109.098 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -62.58 -45.38 93.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.257 -0.902 . . . . 0.0 109.284 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -59.51 -37.24 77.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.26 -38.54 91.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.365 -0.834 . . . . 0.0 109.335 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -62.59 -45.22 93.88 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.617 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LYS . 13.2 mm -63.22 -70.41 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.082 -1.011 . . . . 0.0 109.651 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ILE . 64.5 tttm -39.17 -41.14 0.81 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.791 -0.568 . . . . 0.0 110.194 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.8 -47.45 75.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.057 -1.027 . . . . 0.0 109.011 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -57.16 -36.78 71.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.15 -44.21 96.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.941 . . . . 0.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -65.61 -40.51 92.7 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 109.427 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -64.72 -36.38 84.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.319 -0.863 . . . . 0.0 109.362 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.1 tt -69.33 -39.68 78.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 0.0 109.076 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -60.01 -43.12 95.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.121 -0.987 . . . . 0.0 109.291 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.12 -40.92 97.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.192 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -47.42 86.35 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.357 -0.839 . . . . 0.0 109.089 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -55.55 -42.4 74.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.19 -37.04 79.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.379 -0.826 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.42 -57.35 6.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 0.0 109.738 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.96 -33.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.714 -1.241 . . . . 0.0 108.985 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -64.63 -44.52 90.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.36 -0.838 . . . . 0.0 109.548 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.46 -38.76 92.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.401 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.22 -44.37 84.02 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.327 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -58.76 -46.71 86.86 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.54 -42.71 95.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -63.97 -37.19 86.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -67.17 -38.94 86.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.342 -0.849 . . . . 0.0 109.496 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -62.48 -50.78 70.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.227 -0.921 . . . . 0.0 109.692 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -62.13 -43.24 99.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.219 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.9 t -49.27 -47.89 46.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.139 -0.976 . . . . 0.0 109.219 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.333 -0.854 . . . . 0.0 109.176 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.38 -47.79 82.59 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.301 -0.874 . . . . 0.0 109.773 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.03 -44.46 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.931 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.65 -40.51 92.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.177 -0.952 . . . . 0.0 109.317 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 65.0 mmm -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.77 -41.42 56.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.12 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -61.49 -42.63 99.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.15 -37.85 86.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.08 -36.99 86.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.21 -0.932 . . . . 0.0 109.525 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -63.94 -46.64 83.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 2.6 mp -65.43 -65.42 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.012 -1.055 . . . . 0.0 108.75 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 20' ' ' LYS . 6.4 ttpm? -40.3 -41.94 1.44 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.745 -0.597 . . . . 0.0 109.807 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.19 -47.34 74.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.134 -0.979 . . . . 0.0 108.891 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.03 -33.52 69.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.893 . . . . 0.0 108.634 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.42 -41.76 93.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -66.2 -44.96 82.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.2 -0.937 . . . . 0.0 109.719 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -66.76 -35.19 79.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 109.402 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.88 -38.33 82.92 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.243 -0.911 . . . . 0.0 109.265 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -64.63 -40.26 95.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 109.583 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.18 -38.03 87.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.465 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -64.06 -42.97 96.83 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.32 -0.863 . . . . 0.0 109.112 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.26 -43.53 92.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.48 -38.34 77.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.912 . . . . 0.0 109.267 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.43 -53.01 26.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.53 -36.34 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.82 -1.175 . . . . 0.0 109.553 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.215 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -68.58 -35.96 78.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.9 . . . . 0.0 109.5 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.21 -46.41 80.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.326 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.39 -39.62 93.83 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.211 -0.931 . . . . 0.0 109.564 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -63.56 -40.43 96.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.626 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -61.58 -46.58 89.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.232 -0.918 . . . . 0.0 109.546 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.92 -35.55 80.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.103 -0.998 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.06 -51.52 69.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.132 -0.98 . . . . 0.0 109.176 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -67.06 -41.38 86.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 108.91 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 t -44.23 -42.85 6.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.609 -0.682 . . . . 0.0 109.937 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.145 -0.972 . . . . 0.0 109.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -62.06 -45.08 95.14 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.872 . . . . 0.0 109.861 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 -42.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.05 -38.3 88.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.134 -0.979 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -64.21 -56.29 15.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.2 tt -48.99 -40.23 29.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 0.0 108.867 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -63.0 -42.12 99.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.265 -0.897 . . . . 0.0 109.014 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.74 -38.9 92.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.66 -35.44 80.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 0.0 109.45 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -63.76 -46.42 85.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 30.9 mm -66.58 -65.61 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.0 109.606 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 50.9 tttp -39.16 -43.42 1.07 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.756 -0.59 . . . . 0.0 110.212 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.44 -47.46 83.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.048 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 HH21 ' A' ' 25' ' ' ARG . 28.4 tp -62.63 -36.14 81.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.286 -0.884 . . . . 0.0 109.194 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -60.47 -40.81 92.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.251 -0.906 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -66.69 -40.71 88.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.348 -0.845 . . . . 0.0 109.141 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.547 HH21 HD13 ' A' ' 22' ' ' LEU . 33.0 ttp180 -66.65 -36.58 82.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 0.0 109.06 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -60.34 -46.55 89.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.389 -0.82 . . . . 0.0 108.854 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -60.55 -40.33 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.136 -0.977 . . . . 0.0 109.256 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.39 -41.07 96.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.0 109.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -63.81 -49.8 71.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 109.231 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -52.44 -40.06 61.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.75 -37.23 86.57 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 109.443 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.05 -50.92 60.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 109.811 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.26 -37.73 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.72 -1.238 . . . . 0.0 109.198 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -64.27 -45.08 89.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.53 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.03 -37.54 86.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.732 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -65.11 -42.22 94.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 0.0 108.987 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -62.08 -44.18 97.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.319 -0.863 . . . . 0.0 109.918 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -62.18 -40.8 97.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.905 . . . . 0.0 109.552 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -63.97 -41.2 97.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.873 . . . . 0.0 109.233 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.2 tt -64.71 -36.29 83.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.884 . . . . 0.0 108.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -62.63 -51.08 68.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.767 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -61.13 -46.73 89.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.4 m -48.82 -47.59 42.3 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.14 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 0.0 109.527 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.188 0.518 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' B' ' 10' ' ' LYS . 8.7 mtmp? -62.65 -47.23 84.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.855 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.5 mm -69.12 -45.26 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.63 -42.58 99.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.019 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mmm -60.11 -54.95 39.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.161 -0.962 . . . . 0.0 109.096 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.61 -38.58 46.6 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.299 -0.876 . . . . 0.0 109.095 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -66.18 -41.52 90.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.187 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -62.99 -37.64 87.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -66.87 -34.85 78.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.268 -0.895 . . . . 0.0 109.118 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -62.1 -47.5 84.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.9 mm -67.36 -65.1 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.247 -0.908 . . . . 0.0 109.648 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.4 tttt -39.68 -46.29 1.82 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.752 -0.592 . . . . 0.0 110.082 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.66 -46.47 90.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.142 -0.973 . . . . 0.0 108.804 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.35 -35.19 75.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.389 -0.819 . . . . 0.0 108.913 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -62.02 -39.71 93.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.34 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.94 -44.15 85.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.0 109.569 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.71 -36.66 81.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 0.0 109.273 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.44 -44.29 97.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.302 -0.873 . . . . 0.0 109.146 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 79.4 p -63.67 -38.03 89.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.177 -0.952 . . . . 0.0 108.994 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.5 -44.32 93.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.345 -0.847 . . . . 0.0 109.12 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.24 -44.18 97.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.0 109.572 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -52.11 -48.76 64.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.98 -34.02 75.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.259 -0.901 . . . . 0.0 109.439 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -68.53 -55.44 11.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 98.2 mt -49.82 -36.97 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.807 -1.183 . . . . 0.0 109.28 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.26 -43.86 85.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -61.75 -40.55 95.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.162 -0.961 . . . . 0.0 110.179 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.565 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -67.6 -43.96 79.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 0.0 109.044 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -56.31 -45.46 80.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.03 -1.044 . . . . 0.0 109.086 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -63.97 -41.47 97.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.855 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.69 -48.59 78.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.948 . . . . 0.0 109.615 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 tp -63.48 -33.08 74.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.889 . . . . 0.0 109.089 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' B' ' 41' ' ' HIS . 2.8 t-80 -63.77 -51.97 62.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -59.36 -48.38 81.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.208 -0.933 . . . . 0.0 109.458 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -48.92 -47.86 43.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.837 . . . . 0.0 109.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 108.975 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.179 0.514 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -59.46 -46.29 89.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.436 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 mm -67.98 -43.12 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.315 -0.866 . . . . 0.0 109.473 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 tt -58.24 -43.53 87.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.176 -0.952 . . . . 0.0 108.792 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.35 -54.45 46.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.115 -0.991 . . . . 0.0 109.643 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -50.55 -44.74 56.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.149 -0.97 . . . . 0.0 108.905 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -60.22 -41.63 93.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.126 -0.984 . . . . 0.0 109.096 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -64.27 -40.19 95.49 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.353 -0.842 . . . . 0.0 109.593 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.73 -39.36 93.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -60.96 -43.09 99.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.267 -0.896 . . . . 0.0 109.157 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 93.3 mt -64.19 -71.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.836 . . . . 0.0 109.78 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' ILE . 90.4 mttt -39.36 -39.47 0.66 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.782 -0.574 . . . . 0.0 110.383 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.49 -47.97 81.63 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.951 -1.093 . . . . 0.0 108.865 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.81 -36.07 81.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.918 . . . . 0.0 108.582 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -59.8 -42.09 92.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 109.551 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -66.21 -41.31 90.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.602 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -66.04 -38.07 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.311 -0.868 . . . . 0.0 109.332 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.719 HD11 ' HZ1' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -64.57 -42.87 95.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 109.06 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -63.12 -42.67 99.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.967 . . . . 0.0 109.854 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.78 -40.22 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.282 -0.886 . . . . 0.0 109.783 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -63.26 -42.29 99.15 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.088 -1.008 . . . . 0.0 109.134 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -59.06 -41.6 88.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 0.0 109.064 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.45 -40.0 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.362 -0.836 . . . . 0.0 109.224 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.5 -49.55 66.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.313 -0.867 . . . . 0.0 109.496 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.2 -38.12 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.81 -1.181 . . . . 0.0 109.586 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.29 -44.88 82.26 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.085 -1.009 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.35 -41.91 90.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 110.067 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.22 -42.93 88.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 108.931 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -61.59 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.993 . . . . 0.0 110.043 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -61.39 -38.74 88.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.171 -0.955 . . . . 0.0 109.43 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.87 -47.24 84.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 0.0 109.849 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.98 -36.02 83.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.743 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -58.56 -45.8 88.23 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.175 -0.953 . . . . 0.0 108.677 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -66.43 -46.43 76.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 0.0 109.253 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.0 t -48.24 -51.54 25.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.41 -0.807 . . . . 0.0 109.787 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 109.653 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.145 0.497 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -58.51 -46.45 86.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.085 -1.01 . . . . 0.0 109.73 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.54 -40.77 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.866 . . . . 0.0 109.41 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.78 -44.74 96.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.0 108.765 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.68 -54.28 41.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.614 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.526 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -50.93 -41.87 59.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.028 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -62.81 -41.86 99.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.451 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.85 -39.1 87.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.453 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -59.53 -41.36 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -63.91 -43.31 96.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.41 -0.806 . . . . 0.0 109.166 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' B' ' 22' ' ' LEU . 97.1 mt -63.2 -70.85 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 0.0 109.554 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 62.7 mttm -39.61 -44.75 1.52 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.732 -0.605 . . . . 0.0 109.996 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -63.23 -44.54 94.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.171 -0.955 . . . . 0.0 109.0 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tp -60.77 -37.44 81.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.838 . . . . 0.0 109.292 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.26 -42.65 98.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.199 -0.938 . . . . 0.0 109.504 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -67.05 -41.37 86.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 0.0 109.4 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -66.81 -36.48 82.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.237 -0.914 . . . . 0.0 109.678 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.26 -40.28 90.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.943 . . . . 0.0 109.444 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -64.28 -40.0 95.07 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -67.26 -37.76 84.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.641 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.719 ' HZ1' HD11 ' A' ' 26' ' ' LEU . 36.4 ttmt -62.87 -44.29 96.51 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.093 -1.004 . . . . 0.0 108.981 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.21 -38.68 84.09 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.333 -0.854 . . . . 0.0 108.785 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.44 -38.37 83.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -67.1 -54.59 19.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.151 -0.968 . . . . 0.0 109.554 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -52.7 -33.34 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.734 -1.229 . . . . 0.0 108.799 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -65.96 -43.5 87.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -62.02 -42.48 99.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 109.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.607 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.9 OUTLIER -65.85 -46.15 79.56 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -51.98 -49.02 64.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.143 -0.973 . . . . 0.0 109.433 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -65.74 -39.92 91.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.192 -0.942 . . . . 0.0 109.64 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.58 -48.28 81.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.204 -0.935 . . . . 0.0 109.875 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.66 -35.01 79.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 0.0 109.524 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' B' ' 44' ' ' GLN . 59.2 t-80 -60.9 -47.9 84.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 108.973 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -67.55 -44.95 77.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.281 -0.887 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.62 -44.21 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' B' ' 41' ' ' HIS . 2.7 pt20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 109.679 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -63.35 -45.57 90.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.417 -0.802 . . . . 0.0 109.903 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.26 -43.9 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 109.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.2 tt -60.1 -41.15 91.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.6 mmt -57.21 -51.6 68.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.97 . . . . 0.0 109.069 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -51.69 -41.39 61.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.285 -0.884 . . . . 0.0 108.76 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -65.79 -42.2 91.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.58 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -65.21 -42.59 93.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.347 -0.846 . . . . 0.0 109.79 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.98 -40.41 95.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.4 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -62.1 -42.43 99.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -0.861 . . . . 0.0 109.406 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -64.18 -70.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.893 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ILE . 61.1 tttm -40.0 -44.87 1.81 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.622 -0.674 . . . . 0.0 110.128 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 41.9 tt0 -62.41 -45.73 91.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.121 -0.987 . . . . 0.0 108.871 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.59 -33.56 68.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.449 -0.782 . . . . 0.0 108.938 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.83 -41.68 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.385 -0.822 . . . . 0.0 109.729 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -64.27 -43.01 96.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.137 -0.977 . . . . 0.0 110.181 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 21' ' ' GLU . 85.8 mtt180 -66.9 -39.86 87.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.043 -1.036 . . . . 0.0 109.225 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.51 -38.73 87.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.468 -0.77 . . . . 0.0 109.603 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.8 p -64.64 -37.66 88.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.91 -40.95 91.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.278 -0.889 . . . . 0.0 109.638 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -63.6 -40.54 97.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -62.16 -40.33 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.959 . . . . 0.0 109.651 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.6 -39.32 93.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.073 -1.017 . . . . 0.0 109.384 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -67.32 -49.49 63.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.28 -0.887 . . . . 0.0 109.452 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.3 mt -53.54 -35.97 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.914 -1.116 . . . . 0.0 109.211 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.96 -44.17 85.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.259 -0.901 . . . . 0.0 109.436 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.97 -35.92 81.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.268 -0.895 . . . . 0.0 109.949 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.65 -42.16 91.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 0.0 109.82 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -63.69 -42.1 98.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.162 -0.961 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -62.86 -41.92 99.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.035 -1.04 . . . . 0.0 108.876 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -42.5 99.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.417 -0.802 . . . . 0.0 109.185 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 40' ' ' LEU . 2.6 tt -60.97 -37.72 83.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.477 -0.764 . . . . 0.0 109.259 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -60.46 -46.3 90.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.049 -1.032 . . . . 0.0 108.926 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -65.25 -42.72 93.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.383 -0.823 . . . . 0.0 109.516 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.9 m -53.03 -53.08 55.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 0.0 110.421 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.188 -179.123 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.253 0.549 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -58.93 -46.21 88.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.159 -0.963 . . . . 0.0 109.802 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.916 . . . . 0.0 109.109 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 63.8 mmm -61.11 -52.86 63.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.83 -39.23 58.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 109.358 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.32 -42.47 96.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.977 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -65.09 -42.41 94.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 109.817 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.11 -35.8 81.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 0.0 109.509 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.59 -44.01 95.3 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.242 -0.911 . . . . 0.0 109.149 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' B' ' 20' ' ' LYS . 95.9 mt -62.76 -68.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 0.0 109.685 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.2 ttpp -39.84 -41.39 1.13 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.702 -0.624 . . . . 0.0 110.019 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.41 -47.02 87.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.938 . . . . 0.0 109.048 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.93 -32.48 69.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.154 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -63.31 -46.09 88.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.106 -0.996 . . . . 0.0 109.374 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -68.12 -41.56 81.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.192 -0.943 . . . . 0.0 109.718 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -65.78 -38.12 88.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 0.0 109.724 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -67.95 -39.89 83.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.451 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.3 -40.28 93.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.77 -37.51 84.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.405 -0.809 . . . . 0.0 109.391 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.87 -52.52 62.78 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.309 -0.869 . . . . 0.0 109.333 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.28 -38.16 70.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.224 -0.923 . . . . 0.0 109.143 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.38 -36.9 79.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.423 -0.798 . . . . 0.0 109.475 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.38 -56.04 9.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.516 ' N ' HD12 ' B' ' 33' ' ' ILE . 2.0 mp -53.4 -31.06 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.51 -1.369 . . . . 0.0 108.092 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -67.87 -47.35 69.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.408 -0.808 . . . . 0.0 109.095 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.71 -42.8 97.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.801 . . . . 0.0 109.802 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.73 -38.38 83.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.898 . . . . 0.0 109.433 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.69 -43.28 94.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.265 -0.897 . . . . 0.0 109.499 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -65.03 -42.44 94.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -61.74 -39.38 91.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.955 . . . . 0.0 109.255 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.512 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -69.72 -37.01 76.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 108.907 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -61.58 -47.59 84.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.938 . . . . 0.0 109.705 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -62.65 -43.54 98.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.166 -0.959 . . . . 0.0 109.247 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.58 -50.09 43.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 0.0 109.444 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.301 0.572 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -62.73 -42.98 99.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.12 -0.988 . . . . 0.0 110.07 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -66.13 -46.47 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 0.0 109.494 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.42 -41.79 98.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.144 -0.973 . . . . 0.0 109.146 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.65 -55.82 26.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.991 -1.068 . . . . 0.0 109.26 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 14' ' ' LEU . 1.6 tt -47.74 -39.95 19.18 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 0.0 108.702 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -65.88 -39.33 90.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.65 -39.11 92.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -65.79 -36.05 82.43 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.28 -0.887 . . . . 0.0 109.091 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.9 -45.51 94.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.506 -0.746 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.6 mm -66.61 -64.89 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.945 . . . . 0.0 109.875 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ILE . 3.2 ttmp? -37.3 -43.5 0.54 Allowed 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.761 -0.587 . . . . 0.0 110.137 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.1 -44.99 87.03 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.214 -0.929 . . . . 0.0 108.792 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -61.12 -37.38 82.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -60.87 -42.55 98.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.06 -1.025 . . . . 0.0 109.164 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -69.0 -40.02 78.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.278 -0.889 . . . . 0.0 109.518 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.5 tpp85 -65.71 -38.33 88.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.296 -0.877 . . . . 0.0 109.261 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -65.34 -41.45 93.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.906 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -61.8 -40.13 94.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.476 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.19 -41.67 99.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.911 . . . . 0.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.81 -48.35 80.98 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -53.23 -44.53 68.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 0.0 109.403 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.52 -35.75 76.74 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.225 -0.922 . . . . 0.0 109.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.97 -52.5 35.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.0 109.971 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' B' ' 33' ' ' ILE . 18.0 mm -53.14 -35.89 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.69 -1.256 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -65.04 -46.7 80.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 109.619 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -67.38 -37.52 83.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.504 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -66.51 -44.29 82.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.306 -0.871 . . . . 0.0 109.17 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -59.54 -41.66 90.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.53 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -63.95 -38.86 92.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.0 109.778 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -62.03 -46.75 87.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.196 -0.94 . . . . 0.0 109.858 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.67 -33.5 75.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.074 -1.016 . . . . 0.0 109.637 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -61.94 -51.49 67.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 109.229 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.15 -43.54 94.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.235 -0.915 . . . . 0.0 109.31 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 70.9 m -48.58 -47.05 39.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 0.0 109.67 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.126 0.489 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.63 -54.19 49.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.225 -0.922 . . . . 0.0 110.203 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.84 -37.27 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.023 -1.048 . . . . 0.0 109.377 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.94 -42.11 84.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 0.0 109.106 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 41.5 mtt -69.59 -51.93 30.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 109.106 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.08 -43.8 41.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.209 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.99 -44.85 95.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.19 -0.944 . . . . 0.0 108.563 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -58.79 -41.23 86.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.243 -0.911 . . . . 0.0 109.13 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -64.08 -41.2 97.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.389 -0.819 . . . . 0.0 110.263 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.25 -48.74 80.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.165 -0.959 . . . . 0.0 109.914 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' B' ' 20' ' ' LYS . 1.4 mp -63.29 -65.47 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.995 . . . . 0.0 109.439 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 19' ' ' ILE . 82.9 tttt -36.6 -45.99 0.55 Allowed 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.194 0.521 . . . . 0.0 110.602 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -60.46 -47.98 83.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 108.706 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 19' ' ' ILE . 34.7 tp -58.5 -34.94 71.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.457 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -61.87 -45.59 93.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 109.946 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -68.46 -39.17 81.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.138 -0.976 . . . . 0.0 109.932 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -66.41 -36.97 84.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.181 -0.95 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.09 -40.02 86.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 109.584 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -63.53 -41.55 98.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.12 -38.75 86.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.536 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.7 -46.62 81.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.227 -0.921 . . . . 0.0 108.99 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -55.79 -40.8 73.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.212 -0.93 . . . . 0.0 109.005 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.26 -34.11 76.96 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.0 108.952 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.67 -52.62 24.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.437 HD12 HD12 ' A' ' 33' ' ' ILE . 23.3 mm -56.08 -33.44 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.696 -1.252 . . . . 0.0 109.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -67.14 -42.56 84.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.404 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -66.41 -37.14 84.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.547 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.2 tt -67.42 -42.98 82.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 108.781 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.94 -43.22 95.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.195 -0.94 . . . . 0.0 109.351 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.98 -41.67 95.23 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.339 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -62.3 -41.05 98.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 0.0 109.275 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.64 -37.49 84.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.373 -0.83 . . . . 0.0 109.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.75 -47.52 85.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.228 -0.92 . . . . 0.0 109.371 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -69.21 -42.09 76.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.36 -0.837 . . . . 0.0 109.339 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 10.0 t -47.68 -43.75 26.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.743 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 0.0 109.408 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -59.33 -46.4 88.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.907 . . . . 0.0 109.82 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mm -69.26 -41.36 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.807 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.5 tt -61.49 -44.16 97.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 108.906 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mmm -59.02 -52.44 65.77 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.85 -40.27 55.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 15.1 mtpp -64.33 -39.98 94.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.163 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.04 -41.14 91.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.426 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.13 -40.08 96.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.294 -0.879 . . . . 0.0 109.468 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -62.38 -42.63 99.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 0.0 109.41 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.9 mt -64.92 -69.77 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.66 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.6 ttpp -40.63 -44.62 2.17 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 109.918 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.83 -46.13 89.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.227 -0.921 . . . . 0.0 108.816 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.07 -37.06 78.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.071 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -63.74 -40.42 96.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 0.0 109.741 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.23 -41.44 94.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -66.43 -34.14 77.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.23 -0.919 . . . . 0.0 109.037 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -67.26 -39.81 86.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.287 -0.883 . . . . 0.0 108.899 179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.1 t -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.17 -0.956 . . . . 0.0 109.328 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.24 -38.36 90.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.11 -44.85 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.287 -0.883 . . . . 0.0 108.772 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -56.76 -42.63 79.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -61.85 -38.82 89.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.71 -50.38 62.99 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.5 mt -52.06 -37.75 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -64.74 -42.57 95.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 0.0 109.307 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -62.23 -42.6 99.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.55 -46.94 71.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.286 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -57.29 -43.34 83.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -0.938 . . . . 0.0 109.497 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.76 -38.03 88.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.0 109.552 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -60.0 -45.04 94.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 109.764 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.16 -35.09 77.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.118 -0.989 . . . . 0.0 109.636 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.0 -50.46 74.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 0.0 109.363 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -68.08 -46.27 71.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.951 . . . . 0.0 109.379 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.53 -49.02 27.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.478 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 109.487 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -60.98 -44.03 97.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.045 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.78 -41.98 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.203 -0.936 . . . . 0.0 109.712 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.33 -38.55 87.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.124 -0.985 . . . . 0.0 109.173 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 13.4 mmt -64.77 -55.22 21.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.89 -41.95 46.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.299 -0.876 . . . . 0.0 108.932 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.464 ' NZ ' HD21 ' A' ' 12' ' ' LEU . 32.6 ttmt -63.37 -41.41 98.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.191 -0.943 . . . . 0.0 109.338 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -65.91 -39.22 90.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -0.946 . . . . 0.0 109.405 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -64.87 -37.6 88.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.091 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -63.21 -43.29 98.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.299 -0.876 . . . . 0.0 109.152 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 20' ' ' LYS . 85.2 mt -65.75 -71.34 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.3 -0.875 . . . . 0.0 109.723 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.0 tptp -41.02 -42.7 1.98 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.578 -0.701 . . . . 0.0 109.624 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.07 -46.18 88.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.174 -0.953 . . . . 0.0 108.566 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' ILE . 6.3 tt -58.11 -37.77 75.21 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -61.64 -40.33 94.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.01 -44.45 92.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.918 . . . . 0.0 109.32 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -67.15 -37.23 83.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 108.905 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -64.65 -42.45 95.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.0 109.049 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.7 p -65.81 -37.81 87.27 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.901 . . . . 0.0 108.976 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.65 -44.15 91.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.412 -0.805 . . . . 0.0 109.053 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -60.89 -38.63 86.34 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.3 -38.64 87.54 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.457 -0.777 . . . . 0.0 109.297 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.5 -38.83 92.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.445 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -68.42 -56.94 6.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.22 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -51.29 -36.33 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 120.866 -1.146 . . . . 0.0 109.057 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.63 -42.55 86.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.363 -0.836 . . . . 0.0 109.489 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -63.67 -41.07 98.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.486 -0.759 . . . . 0.0 109.918 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.33 -38.84 88.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.141 -0.974 . . . . 0.0 108.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -56.99 -46.46 82.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.214 -0.929 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -66.67 -41.82 87.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -60.09 -39.43 86.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 108.766 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.18 -36.81 77.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.267 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.14 -47.23 87.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.132 -0.98 . . . . 0.0 109.874 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.61 -46.48 75.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 109.699 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' B' ' 44' ' ' GLN . 2.0 p -48.35 -41.94 30.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.982 -1.074 . . . . 0.0 109.497 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.5 ' N ' ' SG ' ' B' ' 43' ' ' CYS . 4.3 tp-100 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.263 -0.898 . . . . 0.0 109.145 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.272 0.558 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.93 -45.87 91.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.119 -0.988 . . . . 0.0 109.861 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -67.63 -40.23 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 109.787 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.8 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -61.51 -53.96 49.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 0.0 109.48 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -48.48 -42.31 32.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.157 -0.964 . . . . 0.0 109.022 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.12 -41.36 97.27 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.167 -0.958 . . . . 0.0 109.495 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -64.04 -39.47 94.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.661 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.47 -38.16 90.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.188 -0.945 . . . . 0.0 109.556 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -63.46 -46.39 86.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -0.912 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 20' ' ' LYS . 34.1 mm -67.65 -64.63 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.103 -0.998 . . . . 0.0 109.513 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 19' ' ' ILE . 19.8 tptm -39.64 -45.92 1.74 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.648 -0.657 . . . . 0.0 109.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.71 -46.15 86.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 0.0 109.106 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.33 -36.86 78.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.862 . . . . 0.0 109.269 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -62.23 -40.05 94.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.99 -42.4 94.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 0.0 109.259 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -66.45 -36.03 81.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.06 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.3 -42.39 98.58 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.362 -0.836 . . . . 0.0 109.013 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.3 m -64.62 -38.82 92.31 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.925 . . . . 0.0 109.201 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -64.31 -42.69 96.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.178 -0.951 . . . . 0.0 109.598 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.03 -41.09 91.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 0.0 108.943 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.23 -43.09 99.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.506 -0.746 . . . . 0.0 109.437 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.04 -38.16 90.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.118 -0.989 . . . . 0.0 109.956 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.31 -49.53 69.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.047 -1.033 . . . . 0.0 108.963 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -52.98 -34.69 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.915 -1.116 . . . . 0.0 108.315 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -65.25 -43.93 89.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.264 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -64.73 -42.93 94.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.366 -0.834 . . . . 0.0 109.669 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.91 -42.21 98.82 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.56 -43.31 99.1 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.512 -0.742 . . . . 0.0 109.023 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -32.9 72.65 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.566 -0.708 . . . . 0.0 109.473 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.26 -55.53 10.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.63 -35.33 79.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.942 -1.099 . . . . 0.0 109.485 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -61.2 -49.61 76.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.943 -1.098 . . . . 0.0 108.766 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -63.37 -49.24 74.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.384 -0.823 . . . . 0.0 109.378 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.86 -43.07 28.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.525 -0.734 . . . . 0.0 109.939 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.083 -1.011 . . . . 0.0 109.926 -179.635 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -0.918 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.7 ' N ' HD12 ' B' ' 11' ' ' ILE . 2.0 mp -65.43 -41.13 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 0.0 109.483 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.79 -38.76 89.28 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 73.6 mtp -63.23 -55.22 26.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.95 . . . . 0.0 109.648 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.96 -38.36 50.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -63.34 -43.2 98.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.303 -0.873 . . . . 0.0 109.52 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.21 -40.23 90.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.23 -0.919 . . . . 0.0 109.774 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.19 -38.2 90.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 109.468 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.93 -43.37 96.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.48 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.8 mt -64.08 -69.64 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.774 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.8 ttpt -39.32 -43.13 1.12 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.73 -0.606 . . . . 0.0 110.199 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -60.63 -47.34 86.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -0.953 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.59 -34.62 71.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.878 . . . . 0.0 109.129 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -63.55 -42.78 98.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.613 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -66.16 -42.67 88.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.304 -0.872 . . . . 0.0 109.715 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.99 -37.68 86.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 0.0 109.294 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.69 -38.31 86.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . 0.421 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 19.7 m -65.02 -42.21 94.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.241 -0.912 . . . . 0.0 109.549 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.81 -40.55 97.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.336 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -63.06 -42.07 99.61 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.299 -0.876 . . . . 0.0 108.863 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.88 -40.32 79.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.24 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -64.11 -35.2 79.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 0.0 109.028 179.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -67.2 -58.86 4.06 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.264 -0.897 . . . . 0.0 109.616 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 33' ' ' ILE . 1.4 mp -53.58 -31.4 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.688 -1.258 . . . . 0.0 108.651 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -66.0 -46.27 78.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.17 -37.66 88.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.128 -0.982 . . . . 0.0 109.082 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -66.38 -44.83 82.03 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -63.99 -42.43 97.21 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.411 -0.805 . . . . 0.0 109.697 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -62.66 -42.72 99.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 109.908 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.95 -42.06 97.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.501 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.34 -35.25 75.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.59 -45.6 93.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.183 -0.948 . . . . 0.0 109.334 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.95 -46.04 75.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.135 -0.978 . . . . 0.0 109.61 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 87.4 m -48.13 -46.96 34.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.18 -0.95 . . . . 0.0 109.552 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.306 -0.871 . . . . 0.0 109.4 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.221 0.534 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -64.46 -45.84 85.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 109.531 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.36 -43.32 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.88 . . . . 0.0 109.241 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tp -61.89 -41.59 98.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.175 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.54 -54.7 24.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 108.997 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.38 -37.09 35.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 108.731 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -63.4 -42.96 98.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.339 -0.851 . . . . 0.0 108.714 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -63.21 -38.19 90.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -63.21 -38.59 91.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.221 -0.925 . . . . 0.0 109.374 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.79 -48.86 77.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.315 -0.866 . . . . 0.0 109.827 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 26.8 mm -66.37 -65.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.16 -0.963 . . . . 0.0 109.877 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' ILE . 77.7 tttt -39.41 -40.24 0.78 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.601 -0.687 . . . . 0.0 110.066 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' OE2' ' NE ' ' A' ' 25' ' ' ARG . 14.5 tm-20 -63.79 -48.87 75.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 108.88 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.09 -36.03 78.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 0.0 109.46 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -62.35 -41.96 99.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -65.64 -41.77 92.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.084 -1.01 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' NE ' ' OE2' ' A' ' 21' ' ' GLU . 93.2 mtt180 -65.5 -33.71 76.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.871 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.3 -45.64 93.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.301 -0.874 . . . . 0.0 108.807 179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -61.04 -41.96 97.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.03 -39.32 93.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.363 -0.835 . . . . 0.0 109.725 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -64.22 -43.54 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.234 -0.916 . . . . 0.0 109.09 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.61 -42.17 82.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.412 -0.805 . . . . 0.0 109.089 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -62.94 -36.7 84.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.253 -0.905 . . . . 0.0 108.835 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.99 -51.83 42.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.325 -0.859 . . . . 0.0 109.475 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -54.01 -36.41 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.863 -1.148 . . . . 0.0 109.347 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -68.86 -42.49 77.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.167 -0.958 . . . . 0.0 109.716 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -63.16 -39.09 93.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.16 -0.963 . . . . 0.0 109.21 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -66.44 -40.12 89.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.81 -46.3 90.12 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -63.59 -42.14 98.29 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.11 -0.994 . . . . 0.0 109.488 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -59.61 -39.09 83.08 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.216 -0.927 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.71 -36.2 81.94 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.01 -50.38 72.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.439 -0.788 . . . . 0.0 109.32 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -65.86 -42.59 90.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.262 -0.899 . . . . 0.0 109.267 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -47.12 -52.28 15.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.266 -0.896 . . . . 0.0 109.365 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.287 -0.883 . . . . 0.0 109.049 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.15 -45.68 92.37 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 109.841 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.91 -42.68 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.0 109.776 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.1 tt -60.13 -43.12 95.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 109.244 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 76.4 mmm -61.8 -53.66 52.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.111 -0.993 . . . . 0.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.202 -0.936 . . . . 0.0 109.232 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.84 -47.32 86.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.247 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -62.55 -36.75 83.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.213 -0.929 . . . . 0.0 109.139 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -59.85 -42.48 93.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.092 -1.005 . . . . 0.0 109.196 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -61.76 -48.9 78.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 0.0 109.748 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' B' ' 20' ' ' LYS . 24.8 mm -67.23 -65.25 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -0.944 . . . . 0.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' B' ' 19' ' ' ILE . 37.4 tttp -37.13 -45.89 0.65 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.175 0.512 . . . . 0.0 110.348 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -62.77 -48.53 78.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.169 -0.957 . . . . 0.0 108.831 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 19' ' ' ILE . 58.7 tp -60.58 -33.5 72.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 0.0 109.275 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.397 -0.814 . . . . 0.0 109.515 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -65.24 -40.66 94.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.312 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtt-85 -68.04 -34.29 76.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.325 -0.859 . . . . 0.0 109.006 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.495 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -60.23 -47.62 85.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.423 -0.798 . . . . 0.0 109.015 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.9 p -63.67 -39.46 94.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.006 . . . . 0.0 109.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.85 -40.69 97.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.928 . . . . 0.0 109.626 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -63.9 -44.85 91.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.0 109.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -55.18 -39.98 70.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 0.0 108.722 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.77 -38.63 91.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.504 -0.748 . . . . 0.0 109.316 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.18 -54.21 16.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.272 -0.893 . . . . 0.0 109.762 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.76 -35.04 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.863 -1.148 . . . . 0.0 109.455 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.5 -41.52 88.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.54 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -65.99 -35.53 80.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.249 -0.907 . . . . 0.0 109.048 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -65.92 -43.7 87.37 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -56.93 -47.08 81.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 109.624 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -63.03 -40.67 98.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.163 -0.961 . . . . 0.0 109.713 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.95 -42.09 93.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.183 -0.948 . . . . 0.0 109.586 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.569 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -65.99 -37.16 85.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 0.0 109.354 -179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -59.87 -47.36 86.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.987 -1.071 . . . . 0.0 109.304 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.87 -45.95 73.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 109.458 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' B' ' 44' ' ' GLN . 92.2 m -48.32 -44.54 34.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' CYS . 51.6 tt0 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.769 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -60.05 -43.3 95.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.687 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.08 -46.21 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.362 -0.836 . . . . 0.0 109.959 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.61 -44.3 96.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 109.033 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.8 mtt -58.4 -52.74 64.35 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 109.123 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.94 -41.54 59.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.861 . . . . 0.0 109.117 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.22 -40.51 96.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.288 -0.882 . . . . 0.0 109.082 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -66.14 -37.17 85.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.875 . . . . 0.0 109.184 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -60.8 -44.57 96.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.298 -0.876 . . . . 0.0 109.548 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.28 -43.02 99.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.243 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' LEU . 95.7 mt -65.16 -68.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.291 -0.881 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.9 tttm -40.85 -42.29 1.78 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.642 -0.661 . . . . 0.0 109.572 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.45 -45.21 91.88 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 22' ' ' LEU . 2.2 tt -59.56 -37.86 79.57 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.44 -40.95 98.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -64.59 -45.6 86.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -65.81 -37.58 86.64 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 0.0 109.102 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.161 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 m -62.7 -40.65 97.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 0.0 109.662 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -66.58 -38.73 87.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.0 109.515 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HZ1' HD11 ' A' ' 33' ' ' ILE . 17.3 tptp -61.39 -50.4 73.0 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.283 -0.886 . . . . 0.0 108.798 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -52.38 -45.82 65.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.0 109.103 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.03 -34.78 66.19 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.68 -53.81 12.36 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.513 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.561 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 12.2 mm -55.19 -36.3 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.751 -1.218 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -66.38 -43.3 86.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.886 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -67.39 -37.16 82.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.905 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -64.52 -44.56 90.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.893 . . . . 0.0 108.738 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.33 -41.08 92.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.0 109.429 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -61.74 -40.3 94.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.0 109.371 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.47 -46.48 88.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.0 109.577 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.54 -34.86 78.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.85 -49.42 74.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.139 -0.975 . . . . 0.0 109.204 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.67 -45.69 74.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.366 -0.834 . . . . 0.0 109.459 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.8 t -47.44 -46.24 26.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.382 -0.824 . . . . 0.0 109.698 -179.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -59.49 -46.39 88.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.53 -40.57 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.561 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 12' ' ' LEU . 0.2 OUTLIER -61.82 -39.9 93.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.303 -0.873 . . . . 0.0 109.128 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 66.0 mmm -66.77 -58.0 5.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.979 . . . . 0.0 109.641 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 tp -48.14 -41.56 27.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.385 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.62 -42.27 98.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.339 -0.851 . . . . 0.0 109.119 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.74 -38.0 86.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.845 . . . . 0.0 109.421 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -63.33 -36.34 83.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.232 -0.917 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -64.81 -46.11 83.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 109.328 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 22' ' ' LEU . 2.1 mp -66.94 -69.29 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.078 -1.014 . . . . 0.0 109.319 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.6 ttpp -38.31 -42.51 0.72 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.665 -0.647 . . . . 0.0 110.363 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.89 -46.28 85.57 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.0 108.823 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' ILE . 57.6 tp -61.31 -36.4 80.02 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 108.971 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -61.15 -38.36 86.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 108.97 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -66.11 -39.96 90.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 0.0 109.287 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -70.47 -38.82 74.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 26' ' ' LEU . 2.5 tt -59.27 -47.09 86.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.317 -0.865 . . . . 0.0 108.839 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 57.1 p -63.29 -37.98 89.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.087 -1.008 . . . . 0.0 109.016 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -64.84 -40.39 95.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.4 -0.812 . . . . 0.0 109.109 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -63.83 -44.5 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -38.82 84.38 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.254 -0.904 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.36 -39.64 91.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.347 -0.845 . . . . 0.0 109.314 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -70.63 -49.73 44.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.128 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.423 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 97.6 mt -51.35 -38.23 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.829 -1.169 . . . . 0.0 108.966 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -68.54 -43.33 76.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.469 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -64.72 -38.31 90.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.275 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.557 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.3 OUTLIER -66.6 -44.36 82.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -60.3 -42.17 94.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.185 -0.947 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.67 HH12 ' NZ ' ' B' ' 42' ' ' LYS . 70.6 ttt-85 -60.79 -41.47 95.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -62.93 -42.14 99.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.777 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.02 -37.34 83.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.146 -0.971 . . . . 0.0 109.778 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.82 -54.0 41.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.204 -0.935 . . . . 0.0 109.694 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.67 ' NZ ' HH12 ' B' ' 38' ' ' ARG . 49.6 mtmt -60.24 -45.4 93.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 7.5 t -48.78 -43.19 37.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.225 -0.922 . . . . 0.0 109.287 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.444 -0.785 . . . . 0.0 109.412 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.169 0.509 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.03 -49.97 75.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.461 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.5 mt -68.41 -39.77 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.144 -0.972 . . . . 0.0 109.836 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 0.0 109.011 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.7 mmt -60.17 -54.69 42.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.126 -0.984 . . . . 0.0 109.206 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.52 -34.96 27.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.336 -0.853 . . . . 0.0 108.852 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -62.65 -44.37 96.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.851 . . . . 0.0 108.839 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -65.36 -39.29 92.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.307 -0.871 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.22 -43.31 92.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.251 -0.906 . . . . 0.0 109.406 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -64.9 -44.0 91.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.338 -0.851 . . . . 0.0 108.937 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' LYS . 96.5 mt -62.16 -70.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.339 -0.851 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' ILE . 76.1 tttt -40.04 -46.27 2.09 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.754 -0.591 . . . . 0.0 109.965 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -63.7 -46.4 85.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.986 -1.071 . . . . 0.0 109.317 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.2 -37.04 69.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.245 -0.909 . . . . 0.0 108.586 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.31 -40.35 97.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.482 -0.761 . . . . 0.0 109.206 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -66.68 -45.81 77.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 109.954 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -63.06 -36.5 83.77 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.089 -1.007 . . . . 0.0 109.42 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 tp -66.31 -38.62 88.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.034 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.7 p -64.1 -39.73 94.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.58 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.62 -40.43 88.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.0 109.75 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -66.3 -45.66 79.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.626 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.65 -38.91 82.71 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.145 -0.972 . . . . 0.0 109.17 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -63.08 -38.58 91.74 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.883 . . . . 0.0 109.277 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.25 -48.86 69.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.208 -0.933 . . . . 0.0 109.385 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.3 mt -55.49 -34.38 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.858 -1.151 . . . . 0.0 109.012 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -65.04 -44.72 88.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.321 -0.862 . . . . 0.0 109.163 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.63 -36.59 81.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.26 -45.2 81.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.382 -0.824 . . . . 0.0 108.999 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -59.87 -41.63 91.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.744 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.66 -39.41 93.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 109.634 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.81 -46.74 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.729 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.2 -33.17 75.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.938 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -62.13 -49.84 74.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.441 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.71 -44.05 94.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.332 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.6 t -48.36 -48.98 36.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.359 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.0 109.335 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.29 -49.41 76.18 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.759 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.37 -0.831 . . . . 0.0 110.095 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.51 -47.27 86.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.174 -0.954 . . . . 0.0 109.721 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 52.9 mtt -63.83 -55.39 23.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.06 -1.025 . . . . 0.0 109.556 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.68 -37.11 49.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.215 -0.928 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.69 -46.3 90.31 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -61.46 -35.21 76.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 108.91 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -59.35 -43.91 92.73 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.449 -0.782 . . . . 0.0 109.089 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.14 -43.42 98.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 109.652 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' B' ' 22' ' ' LEU . 25.8 mm -62.32 -73.34 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.035 -1.041 . . . . 0.0 109.715 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 19' ' ' ILE . 19.8 mtpp -37.66 -40.51 0.42 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.749 -0.594 . . . . 0.0 110.579 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -63.23 -47.08 83.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.901 -1.124 . . . . 0.0 108.779 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 19' ' ' ILE . 61.9 tp -61.05 -34.21 74.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -61.56 -42.45 98.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.396 -0.815 . . . . 0.0 109.399 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -69.84 -40.67 75.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.278 -0.889 . . . . 0.0 109.695 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -67.73 -35.1 78.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.195 -0.941 . . . . 0.0 109.242 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.546 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -65.38 -43.77 89.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 108.76 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 46.7 t -60.14 -41.14 92.09 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.065 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.92 -37.7 79.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.367 -0.833 . . . . 0.0 109.251 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -65.97 -47.17 75.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.25 -0.907 . . . . 0.0 108.968 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -57.84 -43.21 85.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 108.979 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.23 -33.73 71.35 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 108.798 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.26 -53.7 27.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.402 -0.811 . . . . 0.0 109.673 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.564 ' H ' HD12 ' B' ' 33' ' ' ILE . 2.7 mp -52.39 -35.85 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.75 -1.219 . . . . 0.0 108.561 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.76 -43.74 92.31 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.924 . . . . 0.0 109.433 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.06 -39.16 92.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.932 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.49 HD13 ' O ' ' B' ' 36' ' ' LEU . 0.2 OUTLIER -67.55 -45.19 76.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 108.659 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -56.86 -47.68 79.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 108.911 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -61.72 -41.88 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.55 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -63.14 -41.85 99.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.204 -0.935 . . . . 0.0 109.568 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.58 -36.93 85.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.252 -0.905 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -62.56 -50.77 70.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.253 -0.904 . . . . 0.0 109.436 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -66.69 -41.42 88.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' B' ' 44' ' ' GLN . 17.3 t -51.01 -42.16 60.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 109.899 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' B' ' 43' ' ' CYS . 21.9 pt20 . . . . . 0 N--CA 1.499 2.024 0 O-C-N 121.695 -0.628 . . . . 0.0 110.456 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -57.1 -50.78 71.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.134 -0.979 . . . . 0.0 109.678 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -37.41 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.7 tt -60.9 -36.47 79.33 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.242 -0.911 . . . . 0.0 109.338 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 mtt -72.93 -50.29 24.4 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.848 -1.157 . . . . 0.0 109.689 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.5 -49.93 66.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.141 -0.974 . . . . 0.0 110.23 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HZ3' ' HB2' ' A' ' 15' ' ' LYS . 9.9 ptmm? -62.4 -38.31 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.725 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -60.81 -36.07 78.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.208 -0.932 . . . . 0.0 108.941 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -65.49 -37.51 87.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.346 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -62.83 -44.38 96.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.232 -0.918 . . . . 0.0 109.635 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' LEU . 18.9 mm -66.83 -68.36 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.092 -1.005 . . . . 0.0 109.719 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ILE . 44.6 mttp -40.97 -44.62 2.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.637 -0.664 . . . . 0.0 109.776 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.35 -44.95 96.31 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.64 -36.7 79.31 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.82 -42.74 98.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 109.349 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.0 -41.4 95.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.513 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -68.52 -35.18 77.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.965 . . . . 0.0 109.28 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.56 -42.78 86.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.347 -0.846 . . . . 0.0 109.246 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 m -63.2 -38.68 92.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.952 . . . . 0.0 108.955 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -62.51 -40.42 96.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.398 -0.814 . . . . 0.0 109.125 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.51 -41.6 98.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.831 . . . . 0.0 109.359 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.07 -44.35 87.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.153 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.65 -38.59 89.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.875 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.7 -49.14 69.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.315 -0.866 . . . . 0.0 109.013 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -56.08 -34.58 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.858 -1.151 . . . . 0.0 108.944 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.96 -44.75 88.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.62 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -66.47 -37.2 84.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.184 -0.947 . . . . 0.0 109.27 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -67.18 -46.79 72.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -61.38 -42.33 98.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.196 -0.94 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -61.69 -42.87 99.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.1 -40.82 97.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 0.0 109.402 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 tp -65.15 -37.57 87.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 109.621 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -60.57 -49.98 75.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.29 -45.69 90.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 0.0 109.121 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.8 m -48.64 -50.15 34.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.562 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.345 -0.847 . . . . 0.0 109.744 -179.636 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -58.69 -48.12 82.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.724 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -69.42 -39.65 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.212 -0.93 . . . . 0.0 109.629 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.26 -44.27 97.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.178 -0.951 . . . . 0.0 108.96 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 72.5 mtp -63.27 -52.59 61.43 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -50.84 -37.88 45.72 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.425 -0.797 . . . . 0.0 108.85 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -64.97 -42.5 94.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 0.0 109.071 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.21 -40.62 90.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.364 -0.835 . . . . 0.0 109.306 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.91 -41.63 92.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.823 . . . . 0.0 109.192 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.93 -42.15 97.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.372 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 22' ' ' LEU . 96.6 mt -64.6 -70.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.697 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 19' ' ' ILE . 17.8 tptp -39.05 -39.77 0.6 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.781 -0.575 . . . . 0.0 109.891 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.93 -44.8 84.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 108.986 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 19' ' ' ILE . 47.0 tp -62.5 -38.59 90.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.415 -0.803 . . . . 0.0 109.404 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -39.47 94.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.201 -0.937 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.99 -42.56 84.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.407 -0.808 . . . . 0.0 109.723 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -67.39 -36.26 80.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.154 -0.966 . . . . 0.0 109.25 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.92 -39.4 94.09 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.328 -0.858 . . . . 0.0 109.087 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 15.2 p -64.11 -41.03 97.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.277 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.401 -0.812 . . . . 0.0 109.746 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.51 -40.54 97.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.987 -1.071 . . . . 0.0 108.781 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -55.85 -43.66 77.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.34 -0.85 . . . . 0.0 108.943 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.05 -34.67 78.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.889 . . . . 0.0 109.177 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.85 -53.19 28.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.365 -0.834 . . . . 0.0 109.524 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mm -54.33 -36.79 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.817 -1.177 . . . . 0.0 109.266 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.33 -47.26 80.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 0.0 109.51 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -65.66 -37.89 87.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.256 -0.903 . . . . 0.0 109.555 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.55 -46.6 75.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 108.901 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -59.81 -41.7 91.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.207 -0.933 . . . . 0.0 108.785 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -62.48 -36.45 82.53 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.567 -0.708 . . . . 0.0 109.242 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -64.63 -50.38 67.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.531 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.85 -34.14 76.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.158 -0.964 . . . . 0.0 109.711 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -60.9 -53.53 56.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.965 -1.084 . . . . 0.0 109.554 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.02 -39.56 83.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.938 . . . . 0.0 109.442 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.71 -45.23 39.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.0 109.403 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 0.0 108.825 179.462 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -63.3 -45.83 89.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.8 mm -69.7 -42.99 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 0.0 109.786 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.82 -41.33 99.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 108.969 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 mmt -67.81 -56.41 9.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 108.918 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 tp -49.06 -36.32 18.03 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' NZ ' ' CD1' ' B' ' 19' ' ' ILE . 54.8 tttm -65.65 -39.36 91.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.26 -37.84 88.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.39 -0.819 . . . . 0.0 109.012 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -63.01 -37.96 89.28 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.34 -0.85 . . . . 0.0 108.835 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -63.19 -42.29 99.32 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.362 -0.836 . . . . 0.0 109.023 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 85.9 mt -63.7 -73.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 109.762 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' ILE . 36.7 ttpt -40.23 -42.39 1.49 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.595 -0.69 . . . . 0.0 110.001 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.52 -45.41 93.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.934 . . . . 0.0 108.806 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -62.22 -36.68 82.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.259 -0.9 . . . . 0.0 109.505 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.79 -40.06 87.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.946 . . . . 0.0 109.602 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -67.33 -39.59 85.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -60.64 -45.26 94.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.239 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.5 p -62.68 -38.84 91.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.47 -40.46 95.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -62.37 -42.61 99.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.265 -0.897 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.54 -41.94 91.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.31 -36.89 83.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 109.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.34 -53.26 20.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.0 109.702 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.69 -34.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.843 -1.161 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -66.03 -42.94 88.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -66.43 -37.55 85.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -66.36 -42.89 87.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 109.048 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.09 -43.31 95.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 109.752 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -63.51 -40.74 97.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.211 -0.931 . . . . 0.0 109.513 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.05 -41.09 97.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.452 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.54 -37.87 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.877 . . . . 0.0 109.341 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -61.2 -48.33 82.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 109.321 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HB3' ' HZ2' ' A' ' 42' ' ' LYS . 15.9 mtpp -63.19 -44.12 96.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.371 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.1 m -48.69 -50.26 34.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.297 -0.877 . . . . 0.0 109.412 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.081 0.467 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.22 -50.89 63.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.477 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 11.3 mm -69.26 -42.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.872 . . . . 0.0 109.723 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.59 -43.47 76.04 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 108.614 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mmt -62.51 -50.43 71.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.345 -0.847 . . . . 0.0 108.863 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 14' ' ' LEU . 1.1 tt -51.81 -40.6 60.72 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -65.91 -43.87 86.89 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -65.54 -40.54 93.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.044 -1.035 . . . . 0.0 110.126 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.74 -38.49 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.983 -1.073 . . . . 0.0 109.497 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.2 -45.94 91.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.896 . . . . 0.0 109.177 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.498 ' CD1' ' NZ ' ' A' ' 15' ' ' LYS . 66.5 mt -67.08 -63.85 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.41 -0.806 . . . . 0.0 109.847 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 19' ' ' ILE . 39.0 tttp -39.17 -43.89 1.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.364 0.602 . . . . 0.0 109.883 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.61 -46.23 89.23 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' ILE . 59.3 tp -58.7 -36.86 74.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.462 -0.774 . . . . 0.0 109.192 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.36 -43.35 99.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 109.609 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.42 -41.86 88.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.26 -0.9 . . . . 0.0 109.757 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -68.1 -35.65 78.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.175 -0.953 . . . . 0.0 109.423 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.514 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -61.98 -44.36 96.89 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.171 -0.956 . . . . 0.0 108.723 179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -61.47 -41.57 97.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.069 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -65.16 -40.5 94.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -61.25 -48.3 82.07 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.294 -0.879 . . . . 0.0 109.071 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -57.94 -39.17 77.4 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.523 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.21 -38.78 80.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 0.2 OUTLIER -67.51 -50.49 58.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.224 -0.922 . . . . 0.0 109.614 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.73 -38.07 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.554 -1.341 . . . . 0.0 109.067 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.13 -46.15 74.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.741 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.7 -39.7 94.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 0.0 109.582 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.6 -42.62 82.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.88 . . . . 0.0 109.056 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -61.67 -42.89 99.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.193 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -62.47 -40.23 95.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.311 -0.868 . . . . 0.0 108.94 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -65.7 -41.82 91.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.385 -0.822 . . . . 0.0 109.275 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.19 -36.62 83.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 0.0 109.177 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -62.52 -47.15 85.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.102 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.75 -45.68 92.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.896 . . . . 0.0 109.22 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 80.6 m -49.9 -49.97 47.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.27 -0.894 . . . . 0.0 109.201 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.432 -0.792 . . . . 0.0 109.385 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.29 0.567 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.88 -48.31 81.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.11 -40.3 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.949 . . . . 0.0 109.877 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 12' ' ' LEU . 4.0 tt -61.29 -46.78 88.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.122 -0.986 . . . . 0.0 108.936 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.23 -56.03 26.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.08 -1.013 . . . . 0.0 109.396 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -50.96 -37.67 45.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 108.999 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -62.31 -42.15 99.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.379 -0.825 . . . . 0.0 108.98 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -66.08 -37.18 85.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -0.857 . . . . 0.0 109.086 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -63.58 -38.26 90.47 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.347 -0.845 . . . . 0.0 109.035 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -63.85 -43.87 94.85 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.373 -0.83 . . . . 0.0 109.11 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LEU . 98.3 mt -62.88 -71.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.264 -0.898 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' ILE . 49.5 tttp -40.26 -40.93 1.23 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.728 -0.607 . . . . 0.0 109.914 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.21 -46.72 87.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 0.0 108.729 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 40.9 tp -60.08 -35.14 74.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.415 -0.803 . . . . 0.0 109.129 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -63.59 -40.89 98.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -65.85 -45.07 83.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.339 -0.851 . . . . 0.0 109.888 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -68.13 -36.77 80.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.151 -0.968 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.02 -40.92 95.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.31 -0.869 . . . . 0.0 109.028 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.5 m -64.49 -38.35 90.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.375 -0.828 . . . . 0.0 109.417 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.69 -42.17 95.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.239 -0.913 . . . . 0.0 109.339 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HZ3' HD11 ' B' ' 26' ' ' LEU . 33.6 ttpt -62.32 -43.05 99.72 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.225 -0.922 . . . . 0.0 108.994 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.81 -40.34 83.81 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.318 -0.864 . . . . 0.0 109.138 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.52 -33.67 76.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.073 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -70.5 -57.24 4.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.397 -0.814 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' B' ' 33' ' ' ILE . 26.9 mm -54.81 -32.3 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.75 -1.219 . . . . 0.0 109.14 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -67.92 -41.86 81.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -0.849 . . . . 0.0 109.607 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -66.7 -38.27 86.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 109.69 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.07 -41.56 86.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.929 . . . . 0.0 109.123 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -63.1 -41.96 99.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -63.57 -39.61 94.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -0.938 . . . . 0.0 109.353 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.592 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.47 -32.5 74.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.155 -0.966 . . . . 0.0 109.579 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -63.45 -50.24 70.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.207 -0.933 . . . . 0.0 109.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.51 -44.83 95.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 0.0 109.214 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.0 t -49.74 -49.69 47.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 0.0 109.489 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.246 0.546 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -58.82 -45.65 89.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 0.0 109.739 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.43 -40.24 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.263 -0.898 . . . . 0.0 109.643 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.0 OUTLIER -61.54 -44.0 97.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.189 -0.944 . . . . 0.0 108.83 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mmm -62.54 -53.1 59.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.116 -0.99 . . . . 0.0 109.271 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -50.49 -41.32 53.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.307 -0.871 . . . . 0.0 109.233 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.3 -40.75 96.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -65.29 -37.73 88.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.53 -40.25 95.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.242 -0.911 . . . . 0.0 109.598 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -63.34 -43.3 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.152 -0.967 . . . . 0.0 109.339 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' B' ' 20' ' ' LYS . 96.7 mt -64.67 -69.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.333 -0.854 . . . . 0.0 109.773 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 19' ' ' ILE . 33.9 ttmt -39.96 -43.55 1.55 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.665 -0.647 . . . . 0.0 110.013 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.09 -46.51 90.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.0 109.033 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -58.66 -36.55 74.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.858 . . . . 0.0 108.831 179.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -62.29 -42.2 99.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.31 -43.84 89.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.262 -0.899 . . . . 0.0 109.834 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.12 -35.65 81.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.1 -1.0 . . . . 0.0 109.068 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.462 HD11 ' HZ3' ' A' ' 29' ' ' LYS . 7.9 tp -65.31 -41.12 94.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.332 -0.855 . . . . 0.0 109.166 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -62.08 -41.09 97.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.208 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.0 -40.83 91.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.36 -0.837 . . . . 0.0 109.46 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.41 -44.43 96.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.258 -0.901 . . . . 0.0 108.924 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.68 -39.71 81.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.402 -0.811 . . . . 0.0 109.186 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 0.0 109.17 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.19 -53.58 23.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.679 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.489 HD12 HD12 ' A' ' 33' ' ' ILE . 23.8 mm -56.17 -35.6 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.807 -1.183 . . . . 0.0 109.563 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -65.59 -44.42 86.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 0.0 109.689 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.51 -37.51 86.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.26 -0.9 . . . . 0.0 109.669 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.44 -42.58 87.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.202 -0.936 . . . . 0.0 109.094 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -59.09 -43.8 91.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.305 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.49 -35.98 82.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.249 -0.907 . . . . 0.0 108.732 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.32 -51.57 67.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.96 -32.04 73.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.025 -1.047 . . . . 0.0 109.177 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -57.67 -47.33 82.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 108.985 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.85 -44.01 82.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.193 -0.942 . . . . 0.0 109.429 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 68.3 m -50.2 -53.35 28.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 N--CA 1.496 1.834 0 O-C-N 121.355 -0.841 . . . . 0.0 109.526 -179.529 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.84 -46.29 84.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 mm -70.11 -41.35 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.0 109.976 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -60.99 -43.6 98.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.114 -0.991 . . . . 0.0 108.85 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -63.88 -54.09 40.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.105 -0.997 . . . . 0.0 108.92 179.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -50.2 -38.02 37.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.162 -0.961 . . . . 0.0 108.855 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.11 -41.34 97.29 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 108.983 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.56 -39.9 92.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.805 . . . . 0.0 109.255 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.67 -37.8 88.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.306 -0.871 . . . . 0.0 109.261 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -61.34 -48.28 82.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 108.954 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' LYS . 74.3 mt -63.97 -66.02 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.201 -0.937 . . . . 0.0 110.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ILE . 17.2 ttpp -39.07 -42.87 0.95 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.722 -0.611 . . . . 0.0 110.156 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.78 -46.92 83.03 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -0.982 . . . . 0.0 109.028 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.85 -35.86 79.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.374 -0.829 . . . . 0.0 109.167 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.64 -39.48 93.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -66.13 -42.9 88.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.842 . . . . 0.0 109.69 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -67.1 -34.68 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 109.44 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -63.75 -43.21 97.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.241 -0.912 . . . . 0.0 108.779 179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 t -62.31 -40.91 97.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -37.89 88.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 0.0 109.594 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.21 -44.39 95.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -58.68 -43.74 90.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.204 -0.935 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -58.87 -36.47 74.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.869 . . . . 0.0 109.052 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.47 -54.85 12.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.57 -34.65 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.88 -1.138 . . . . 0.0 108.906 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -66.28 -46.92 75.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.359 -0.838 . . . . 0.0 109.59 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.76 -38.45 86.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.291 -0.88 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.4 -39.1 88.81 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.272 -0.892 . . . . 0.0 108.735 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -59.31 -44.65 92.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.479 -0.763 . . . . 0.0 109.246 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -64.13 -36.25 83.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -63.5 -46.28 86.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.01 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.99 -34.85 79.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.985 -1.072 . . . . 0.0 109.592 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -60.46 -49.31 78.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.151 -0.968 . . . . 0.0 109.475 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -65.28 -44.38 88.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.295 -0.878 . . . . 0.0 109.602 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.1 m -48.11 -47.67 34.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 0.0 109.561 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 109.756 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.45 -46.39 88.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.343 -0.848 . . . . 0.0 109.67 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.53 -40.17 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.232 -0.917 . . . . 0.0 109.82 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.533 HD23 ' O ' ' B' ' 12' ' ' LEU . 1.2 tt -61.16 -43.31 99.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 109.129 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 88.9 mtp -61.96 -54.13 46.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.141 -0.975 . . . . 0.0 109.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -49.35 -39.59 32.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 109.004 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.07 -44.32 96.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 20' ' ' LYS . 84.5 tt0 -62.35 -38.53 89.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.209 -0.932 . . . . 0.0 109.77 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -65.14 -36.29 83.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -63.2 -46.51 86.72 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.353 -0.842 . . . . 0.0 109.77 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' B' ' 22' ' ' LEU . 29.9 mm -66.99 -67.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 109.934 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 16' ' ' GLU . 93.7 mttt -39.57 -40.47 0.88 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.616 -0.677 . . . . 0.0 110.031 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.41 -46.88 84.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 0.0 108.668 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' ILE . 53.7 tp -63.38 -35.03 79.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.358 -0.838 . . . . 0.0 109.119 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -61.3 -40.45 94.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 0.0 109.148 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.95 -40.3 87.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.219 -0.925 . . . . 0.0 109.341 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -67.09 -38.54 85.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -63.7 -41.67 98.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.177 -0.952 . . . . 0.0 108.92 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -63.13 -41.51 99.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 109.461 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -63.04 -39.67 95.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.316 -0.865 . . . . 0.0 109.327 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -64.81 -41.69 95.59 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.326 -0.859 . . . . 0.0 109.114 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -55.11 -47.36 75.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.904 . . . . 0.0 108.86 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -32.3 73.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.34 -0.85 . . . . 0.0 108.931 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -68.95 -53.04 23.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.726 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.78 -35.5 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.909 -1.12 . . . . 0.0 109.652 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.02 -43.17 79.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.048 . . . . 0.0 109.724 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.29 -40.24 93.41 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.185 -0.947 . . . . 0.0 109.171 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 15.7 tp -67.1 -43.56 82.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.471 -0.768 . . . . 0.0 109.222 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -63.52 -44.33 94.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.164 -0.96 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.84 -41.01 94.97 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.986 -1.071 . . . . 0.0 109.289 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -58.98 -42.95 91.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 108.99 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.62 ' O ' HD13 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -63.89 -38.97 93.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.393 -0.817 . . . . 0.0 108.98 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -58.86 -50.48 73.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -0.917 . . . . 0.0 108.722 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -64.36 -46.79 81.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.49 -0.756 . . . . 0.0 109.657 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' B' ' 44' ' ' GLN . 12.7 t -51.31 -52.2 47.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.086 -1.008 . . . . 0.0 108.95 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' B' ' 43' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.495 -0.753 . . . . 0.0 109.514 179.822 . . . . . . . . 2 2 . 1 stop_ save_