data_5h2s_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 5h2s _Structure_validation_residue.Date_analyzed 2017-10-20 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 ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -60.5 -48.75 80.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.79 -43.33 47.51 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 18.5 mtpp -57.19 -47.76 80.46 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.81 80.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.656 -0.652 . . . . 0.0 109.427 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.56 -29.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.621 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.07 -9.82 58.69 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -94.24 -27.7 16.01 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.55 -39.48 93.78 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.98 -50.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.621 HH21 ' HE2' ' A' ' 17' ' ' HIS . 70.6 mtp180 -55.01 -41.52 71.42 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -68.0 -17.0 64.29 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' ILE . 8.1 tpt180 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 121.331 0.586 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.38 -0.825 . . . . 0.0 109.223 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -31.41 22.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.21 -43.46 50.79 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 52.0 mtpt -57.39 -47.58 81.31 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.11 79.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.646 -0.659 . . . . 0.0 109.406 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.52 -29.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.41 -9.47 58.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.259 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -94.33 -27.87 15.86 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.73 -39.68 92.4 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -48.42 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -56.95 -38.93 73.64 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.53 -15.67 62.3 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.697 -0.627 . . . . 0.0 109.57 179.707 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.237 0.542 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.9 p -62.39 -53.27 57.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.29 -32.45 29.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.01 -42.77 39.78 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 42.0 mtpt -55.66 -49.36 73.13 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.95 80.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.6 -0.687 . . . . 0.0 109.329 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.32 -27.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' NE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.75 -8.99 57.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -94.44 -28.62 15.39 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.72 -40.12 93.93 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.33 -50.02 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.578 HH21 ' NE2' ' A' ' 17' ' ' HIS . 45.8 mtp180 -53.91 -42.89 69.22 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -63.95 -19.43 65.13 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 20' ' ' ILE . 9.5 tpt180 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 t80 . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 121.269 0.557 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.548 ' HG ' ' N ' ' A' ' 12' ' ' ALA . 85.3 p -59.31 -41.83 89.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.225 -0.922 . . . . 0.0 108.553 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' N ' ' HG ' ' A' ' 11' ' ' SER . . . -87.76 -32.71 18.98 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.28 -43.36 33.96 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.8 mtpp -58.31 -47.42 83.73 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.606 -0.683 . . . . 0.0 109.482 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.21 -29.05 18.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.672 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.29 -10.92 60.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -94.1 -24.44 17.56 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.64 -39.28 91.25 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -49.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.672 HH21 ' HE2' ' A' ' 17' ' ' HIS . 67.2 mtp180 -55.73 -40.69 72.84 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -70.97 -14.13 62.25 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.659 -0.651 . . . . 0.0 110.1 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 121.32 0.581 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.478 ' HG ' ' N ' ' A' ' 12' ' ' ALA . 98.9 p -60.34 -48.35 82.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.901 . . . . 0.0 108.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HG ' ' A' ' 11' ' ' SER . . . -84.97 -30.67 24.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.46 -43.31 44.56 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 47.0 mtpt -56.54 -48.74 76.63 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.36 78.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.669 -0.645 . . . . 0.0 109.365 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.34 -29.33 18.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -70.96 -8.05 50.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -94.65 -31.23 13.93 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.681 ' N ' HH11 ' A' ' 22' ' ' ARG . 4.1 tp -59.65 -39.91 85.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.3 -49.63 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.427 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -52.5 -41.29 63.29 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.681 HH11 ' N ' ' A' ' 19' ' ' LEU . 59.2 mtm180 -70.34 -17.81 63.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.7 tpt180 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 109.3 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.9 t80 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.231 0.538 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -62.57 -54.19 43.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -0.974 . . . . 0.0 109.596 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.0 32.33 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.52 -43.2 35.97 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 16.9 mtpp -56.25 -49.15 74.97 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.61 79.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.66 -28.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.35 -8.29 52.76 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -94.26 -30.68 14.43 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.48 -39.72 84.64 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.16 -49.51 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.502 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -54.03 -40.49 67.1 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -68.98 -18.2 64.03 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' ILE . 9.6 tpt180 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -59.73 -47.62 84.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.38 25.35 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.18 -43.69 33.32 Favored Glycine 0 N--CA 1.484 1.885 0 N-CA-C 107.883 -2.087 . . . . 0.0 107.883 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 30.1 mttm -53.22 -51.71 61.26 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.79 79.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.593 -0.692 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.39 -27.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.71 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.13 -9.64 58.7 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -93.31 -30.21 15.25 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -40.13 89.6 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.88 -49.77 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.71 HH21 ' HE2' ' A' ' 17' ' ' HIS . 71.7 mtp180 -54.59 -41.15 69.57 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -70.78 -14.93 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ILE . 4.7 tpt180 . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.663 -0.648 . . . . 0.0 109.78 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.068 0.461 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.494 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.76 -29.23 22.51 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.54 -43.0 44.94 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.3 mtpp -56.17 -48.72 75.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.35 78.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.715 . . . . 0.0 109.396 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.25 -29.18 18.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' NE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.1 -9.17 58.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.213 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 21.7 mtp180 -94.24 -26.99 16.4 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.69 ' N ' HH11 ' A' ' 22' ' ' ARG . 3.2 tp -64.0 -38.84 92.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -69.11 -49.86 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.479 HH21 ' NE2' ' A' ' 17' ' ' HIS . 61.1 mtp180 -55.01 -42.24 72.3 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.69 HH11 ' N ' ' A' ' 19' ' ' LEU . 84.5 mtm180 -68.55 -16.4 63.86 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' ILE . 7.3 tpt180 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.655 -0.653 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 121.166 0.508 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -59.74 -55.05 39.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.113 -0.992 . . . . 0.0 109.041 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.4 -28.24 29.04 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.97 -42.05 38.19 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.088 -2.005 . . . . 0.0 108.088 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.5 mtpp -55.85 -48.9 74.68 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.1 80.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.702 -0.624 . . . . 0.0 109.354 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.73 -9.44 58.29 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.419 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -94.11 -29.24 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.04 -39.76 91.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.64 -48.63 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -55.29 -41.01 71.74 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -67.61 -19.54 65.25 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . 10.9 tpt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.136 0.493 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -62.04 -47.41 84.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 108.953 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.98 22.53 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.7 -43.56 46.9 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 8.0 mtpm? -55.91 -49.45 73.4 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.69 78.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.56 -0.712 . . . . 0.0 109.436 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.43 -29.05 18.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.693 ' NE2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.28 -8.61 54.83 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -93.56 -31.23 14.61 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.14 -39.63 86.99 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.93 -49.78 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.693 ' HE ' ' NE2' ' A' ' 17' ' ' HIS . 25.3 mtt-85 -54.7 -41.6 70.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -68.87 -16.71 63.84 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.9 tpt180 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.755 -0.591 . . . . 0.0 109.497 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.242 0.544 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -59.81 -48.02 83.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.167 -0.958 . . . . 0.0 108.694 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.49 -31.77 24.32 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.24 -42.88 33.12 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 45.4 mtpt -56.35 -48.42 76.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.94 79.89 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.32 -29.12 18.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.33 -8.91 56.82 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -94.46 -29.84 14.74 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -60.19 -40.5 90.25 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.12 -49.69 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.52 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -53.75 -38.2 64.15 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -71.99 -16.97 62.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' ILE . 4.4 tpt180 . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.573 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.222 0.534 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 m -59.79 -47.03 87.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 108.791 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.7 22.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -48.7 -43.22 29.12 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 50.8 mtpt -52.82 -51.33 61.28 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -39.24 80.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.523 -0.736 . . . . 0.0 109.319 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.46 -26.12 16.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.708 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.05 -8.53 55.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -94.39 -30.42 14.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.55 -49.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.708 HH21 ' HE2' ' A' ' 17' ' ' HIS . 38.9 mtp180 -54.47 -40.22 68.23 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -69.64 -16.36 63.36 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.4 tpt180 . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.746 -0.596 . . . . 0.0 109.88 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.41 0.624 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -59.6 -46.61 88.45 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 -34.33 24.82 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.02 -43.38 31.66 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.2 mtpm? -55.29 -50.25 70.03 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -38.99 80.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.583 -0.698 . . . . 0.0 109.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.39 -27.37 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.546 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.29 -9.65 58.76 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.01 -27.78 16.13 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.78 -39.56 94.57 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.02 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.546 HH21 ' HE2' ' A' ' 17' ' ' HIS . 70.6 mtp180 -53.96 -41.18 67.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -73.18 -17.21 61.39 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.491 -0.756 . . . . 0.0 109.917 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 t80 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.136 0.493 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -63.34 -59.27 4.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.096 -1.003 . . . . 0.0 109.861 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.25 -31.94 38.41 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.85 -43.02 38.79 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.1 mtpp -56.75 -49.43 75.27 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.37 77.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.661 -0.649 . . . . 0.0 109.46 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.54 -29.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.682 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.61 -9.21 57.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -94.7 -26.35 16.33 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.89 -38.77 92.31 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -48.52 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.682 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 30.1 mtt-85 -58.07 -42.62 85.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.81 -19.16 65.78 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.48 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.294 0.568 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -59.46 -47.56 85.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.258 -0.901 . . . . 0.0 108.697 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.5 -27.22 24.16 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.05 -43.36 40.87 Favored Glycine 0 N--CA 1.483 1.794 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.7 mttm -53.7 -50.43 65.9 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.25 79.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.572 -0.705 . . . . 0.0 109.363 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.33 -27.33 17.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.07 -10.18 59.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -93.51 -27.26 16.76 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.57 -40.59 95.29 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.37 -48.94 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.57 -41.07 76.28 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -67.23 -18.3 65.17 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 7.4 tpt180 . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.609 -0.682 . . . . 0.0 109.377 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.0 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.582 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 2.2 mp -97.12 -93.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.248 -0.908 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.01 -13.8 0.09 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.0 . . . . 0.0 110.36 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 6.1 p-80 -104.95 -10.66 17.12 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.33 -1.79 7.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -89.7 -57.67 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.35 -0.51 0.54 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.613 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -92.6 -34.44 6.97 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.39 -35.32 1.77 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' ILE . 30.2 t80 -45.36 -29.09 0.97 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.615 -0.678 . . . . 0.0 109.759 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -60.5 -48.75 80.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.79 -43.33 47.51 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 18.5 mtpp -57.19 -47.76 80.46 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.81 80.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.656 -0.652 . . . . 0.0 109.427 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.56 -29.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.621 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.07 -9.82 58.69 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -94.24 -27.7 16.01 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.55 -39.48 93.78 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.98 -50.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.621 HH21 ' HE2' ' A' ' 17' ' ' HIS . 70.6 mtp180 -55.01 -41.52 71.42 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -68.0 -17.0 64.29 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 25' ' ' ARG . 8.1 tpt180 -98.55 31.54 2.84 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -58.24 81.14 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.986 . . . . 0.0 108.818 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' ARG . 37.5 mtt85 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.609 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.7 mt -79.81 -98.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 109.817 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.29 -14.21 0.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 110.634 -178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.8 p-80 -105.33 -14.22 15.41 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -82.38 -5.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.624 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -86.08 -55.23 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.8 -0.92 0.71 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.624 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -87.33 -37.83 8.03 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.04 -36.88 1.74 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 6' ' ' ILE . 23.0 t80 -44.87 -31.78 1.36 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.633 -0.667 . . . . 0.0 109.711 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.38 -0.825 . . . . 0.0 109.223 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -31.41 22.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.21 -43.46 50.79 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 52.0 mtpt -57.39 -47.58 81.31 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.11 79.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.646 -0.659 . . . . 0.0 109.406 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.52 -29.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.41 -9.47 58.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.259 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -94.33 -27.87 15.86 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.73 -39.68 92.4 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -48.42 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -56.95 -38.93 73.64 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.53 -15.67 62.3 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 10.0 tpt180 -98.74 27.3 4.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.697 -0.627 . . . . 0.0 109.57 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -58.4 86.62 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 23' ' ' ARG . 65.1 mtp180 . . . . . 0 C--N 1.302 -1.48 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.628 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.4 mt -75.13 -102.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.114 -0.991 . . . . 0.0 109.656 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.27 -12.5 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 110.409 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.436 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.1 p-80 -107.02 -15.16 14.76 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.474 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.61 -1.27 5.06 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.621 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.89 2.14 0.45 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -95.1 -31.83 7.42 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -133.75 -34.56 1.01 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.621 -0.929 . . . . 0.0 108.527 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' ILE . 28.4 t80 -44.59 -25.22 0.25 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.602 -0.686 . . . . 0.0 109.817 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.9 p -62.39 -53.27 57.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.29 -32.45 29.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.01 -42.77 39.78 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 42.0 mtpt -55.66 -49.36 73.13 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.95 80.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.6 -0.687 . . . . 0.0 109.329 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.32 -27.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' NE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.75 -8.99 57.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -94.44 -28.62 15.39 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.72 -40.12 93.93 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.33 -50.02 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.578 HH21 ' NE2' ' A' ' 17' ' ' HIS . 45.8 mtp180 -53.91 -42.89 69.22 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -63.95 -19.43 65.13 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.5 tpt180 -99.51 34.75 2.13 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.3 82.8 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.215 -0.928 . . . . 0.0 109.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.7 ptm180 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.546 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.2 mt -89.14 -97.47 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.67 -14.37 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.1 -1.0 . . . . 0.0 110.333 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.7 p-80 -103.57 -10.13 18.7 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 0.17 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.619 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -91.33 -64.25 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 109.12 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.72 2.01 0.43 Allowed Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -98.34 -34.61 5.27 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -119.43 -45.33 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.7 t80 -44.18 -32.0 1.12 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.698 -0.626 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.548 ' HG ' ' N ' ' A' ' 12' ' ' ALA . 85.3 p -59.31 -41.83 89.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.225 -0.922 . . . . 0.0 108.553 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' N ' ' HG ' ' A' ' 11' ' ' SER . . . -87.76 -32.71 18.98 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.28 -43.36 33.96 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.8 mtpp -58.31 -47.42 83.73 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.606 -0.683 . . . . 0.0 109.482 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.21 -29.05 18.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.672 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.29 -10.92 60.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -94.1 -24.44 17.56 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.64 -39.28 91.25 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -49.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.672 HH21 ' HE2' ' A' ' 17' ' ' HIS . 67.2 mtp180 -55.73 -40.69 72.84 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -70.97 -14.13 62.25 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 25' ' ' ARG . 8.0 tpt180 -103.86 28.36 6.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.659 -0.651 . . . . 0.0 110.1 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -59.58 82.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.923 -1.111 . . . . 0.0 108.124 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' ARG . 65.6 mtm-85 . . . . . 0 C--N 1.304 -1.379 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.646 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.1 p90 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.1 mt -76.12 -97.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.087 -1.008 . . . . 0.0 109.759 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.97 -13.92 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.019 -1.05 . . . . 0.0 110.641 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 6.0 p-80 -106.08 -13.27 15.5 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.491 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -84.8 0.8 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.6 OUTLIER -93.05 -57.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.414 -0.804 . . . . 0.0 108.835 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.24 -0.13 0.46 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -89.13 -36.95 7.37 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 -32.76 1.57 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' ILE . 35.2 t80 -43.25 -29.55 0.41 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.511 -0.743 . . . . 0.0 109.94 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.478 ' HG ' ' N ' ' A' ' 12' ' ' ALA . 98.9 p -60.34 -48.35 82.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.901 . . . . 0.0 108.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HG ' ' A' ' 11' ' ' SER . . . -84.97 -30.67 24.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.46 -43.31 44.56 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 47.0 mtpt -56.54 -48.74 76.63 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.36 78.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.669 -0.645 . . . . 0.0 109.365 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.34 -29.33 18.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -70.96 -8.05 50.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -94.65 -31.23 13.93 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.681 ' N ' HH11 ' A' ' 22' ' ' ARG . 4.1 tp -59.65 -39.91 85.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.3 -49.63 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.427 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -52.5 -41.29 63.29 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.681 HH11 ' N ' ' A' ' 19' ' ' LEU . 59.2 mtm180 -70.34 -17.81 63.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.7 tpt180 -101.5 30.01 4.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 109.3 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.51 82.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.269 -0.894 . . . . 0.0 108.989 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 23' ' ' ARG . 51.2 mtp180 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.659 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.65 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -153.09 -14.07 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.964 -1.085 . . . . 0.0 110.568 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.7 p-80 -104.75 -13.24 15.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.46 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -83.8 -6.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -88.4 -51.84 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.173 -0.954 . . . . 0.0 108.709 179.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.62 -0.98 0.68 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -85.46 -38.11 9.19 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.16 -36.55 1.31 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.9 t80 -46.26 -25.22 0.58 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.656 -0.652 . . . . 0.0 109.864 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -62.57 -54.19 43.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -0.974 . . . . 0.0 109.596 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.0 32.33 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.52 -43.2 35.97 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 16.9 mtpp -56.25 -49.15 74.97 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.61 79.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.66 -28.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.35 -8.29 52.76 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -94.26 -30.68 14.43 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.48 -39.72 84.64 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.16 -49.51 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.502 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -54.03 -40.49 67.1 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -68.98 -18.2 64.03 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.6 tpt180 -103.7 35.43 2.63 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -58.23 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.115 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ARG . 56.9 mtt85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.465 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.5 mt -82.86 -98.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.51 -13.86 0.08 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.012 -1.055 . . . . 0.0 110.631 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.8 p-80 -106.01 -16.06 14.73 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.465 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -80.2 -3.86 6.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -88.61 -52.79 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.84 -0.95 0.73 Allowed Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -85.65 -38.82 8.55 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.97 -37.06 1.74 Allowed 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.6 t80 -47.6 -28.91 2.55 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.508 -0.745 . . . . 0.0 109.165 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -59.73 -47.62 84.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.38 25.35 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.18 -43.69 33.32 Favored Glycine 0 N--CA 1.484 1.885 0 N-CA-C 107.883 -2.087 . . . . 0.0 107.883 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 30.1 mttm -53.22 -51.71 61.26 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.79 79.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.593 -0.692 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.39 -27.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.71 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.13 -9.64 58.7 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -93.31 -30.21 15.25 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -40.13 89.6 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.88 -49.77 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.71 HH21 ' HE2' ' A' ' 17' ' ' HIS . 71.7 mtp180 -54.59 -41.15 69.57 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -70.78 -14.93 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 25' ' ' ARG . 4.7 tpt180 -105.02 31.2 4.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.663 -0.648 . . . . 0.0 109.78 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -58.38 84.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.114 -0.991 . . . . 0.0 108.398 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 23' ' ' ARG . 27.7 ptt180 . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.535 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.5 mt -93.1 -86.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.031 -1.043 . . . . 0.0 109.505 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.651 ' NE2' ' HD1' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -157.35 -13.35 0.09 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.156 -0.965 . . . . 0.0 111.384 -178.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.651 ' HD1' ' NE2' ' A' ' 3' ' ' HIS . 5.0 p-80 -126.74 -28.92 2.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.255 -0.903 . . . . 0.0 108.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 7.7 pt -70.36 -11.83 15.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.621 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.3 pt -74.36 -59.95 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.09 1.29 0.38 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -97.98 -32.43 6.18 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -130.67 -33.08 1.64 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.622 -0.928 . . . . 0.0 108.701 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' ILE . 50.3 t80 -41.74 -30.38 0.24 Allowed 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.751 -0.593 . . . . 0.0 110.19 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.494 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.76 -29.23 22.51 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.54 -43.0 44.94 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.3 mtpp -56.17 -48.72 75.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.35 78.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.715 . . . . 0.0 109.396 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.25 -29.18 18.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' NE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.1 -9.17 58.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.213 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 21.7 mtp180 -94.24 -26.99 16.4 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.69 ' N ' HH11 ' A' ' 22' ' ' ARG . 3.2 tp -64.0 -38.84 92.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -69.11 -49.86 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.479 HH21 ' NE2' ' A' ' 17' ' ' HIS . 61.1 mtp180 -55.01 -42.24 72.3 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.69 HH11 ' N ' ' A' ' 19' ' ' LEU . 84.5 mtm180 -68.55 -16.4 63.86 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.3 tpt180 -101.99 29.68 4.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.655 -0.653 . . . . 0.0 109.824 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.4 84.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.955 -1.09 . . . . 0.0 108.151 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.3 mtp180 . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.895 -1.05 . . . . 0.0 109.637 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.8 mt -76.33 -101.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.84 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.69 -13.68 0.12 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.043 -1.036 . . . . 0.0 110.497 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.4 p-80 -104.94 -15.49 15.12 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -80.6 -5.15 8.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.637 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -87.74 -56.12 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.341 -0.849 . . . . 0.0 108.725 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.32 0.86 0.5 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.637 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -93.38 -34.39 6.71 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -131.09 -34.47 1.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.8 t80 -44.95 -25.03 0.27 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.57 -0.706 . . . . 0.0 109.87 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -59.74 -55.05 39.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.113 -0.992 . . . . 0.0 109.041 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.4 -28.24 29.04 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.97 -42.05 38.19 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.088 -2.005 . . . . 0.0 108.088 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.5 mtpp -55.85 -48.9 74.68 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.1 80.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.702 -0.624 . . . . 0.0 109.354 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.73 -9.44 58.29 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.419 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -94.11 -29.24 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.04 -39.76 91.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.64 -48.63 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -55.29 -41.01 71.74 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -67.61 -19.54 65.25 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 25' ' ' ARG . 10.9 tpt180 -95.35 29.14 2.62 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -58.55 84.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.089 -1.007 . . . . 0.0 108.377 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 23' ' ' ARG . 7.4 ptm180 . . . . . 0 C--N 1.302 -1.469 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.688 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.11 -105.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.057 -1.027 . . . . 0.0 109.477 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -153.8 -12.8 0.14 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.536 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.4 p-80 -106.8 -12.19 15.57 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -85.31 1.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.628 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -94.87 -58.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.7 1.24 0.33 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.628 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -94.43 -33.93 6.59 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -130.69 -34.29 1.55 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.65 -0.912 . . . . 0.0 108.554 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' ILE . 44.6 t80 -41.72 -29.41 0.19 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.76 -0.587 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -62.04 -47.41 84.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 108.953 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.98 22.53 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.7 -43.56 46.9 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 8.0 mtpm? -55.91 -49.45 73.4 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.69 78.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.56 -0.712 . . . . 0.0 109.436 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.43 -29.05 18.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.693 ' NE2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.28 -8.61 54.83 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -93.56 -31.23 14.61 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.14 -39.63 86.99 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.93 -49.78 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.693 ' HE ' ' NE2' ' A' ' 17' ' ' HIS . 25.3 mtt-85 -54.7 -41.6 70.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -68.87 -16.71 63.84 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.9 tpt180 -103.18 33.64 3.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.755 -0.591 . . . . 0.0 109.497 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -58.78 80.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.201 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 23' ' ' ARG . 70.6 mtt180 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.705 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.1 mm -78.36 -104.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.847 . . . . 0.0 109.634 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -152.24 -12.26 0.18 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.963 -1.086 . . . . 0.0 110.83 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.6 p-80 -107.74 -13.52 15.0 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -84.43 1.82 4.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.639 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -95.19 -56.57 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.65 0.5 0.43 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.639 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -92.26 -32.46 8.28 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -137.25 -30.7 0.84 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.536 -0.979 . . . . 0.0 108.984 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' ILE . 47.5 t80 -42.51 -29.47 0.28 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.624 -0.672 . . . . 0.0 110.133 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -59.81 -48.02 83.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.167 -0.958 . . . . 0.0 108.694 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.49 -31.77 24.32 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.24 -42.88 33.12 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 45.4 mtpt -56.35 -48.42 76.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.94 79.89 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.32 -29.12 18.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.33 -8.91 56.82 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -94.46 -29.84 14.74 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -60.19 -40.5 90.25 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.12 -49.69 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.52 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -53.75 -38.2 64.15 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -71.99 -16.97 62.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 4.4 tpt180 -101.44 28.23 5.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.573 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -59.55 84.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 108.308 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ARG . 26.9 ptt180 . . . . . 0 C--N 1.301 -1.523 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.458 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 p90 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.239 0.543 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.18 -103.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.212 -0.93 . . . . 0.0 109.952 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -152.08 -12.75 0.19 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.025 -1.047 . . . . 0.0 110.269 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.0 p-80 -104.91 -11.59 16.64 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -85.57 -0.6 6.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.633 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -90.18 -58.54 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.16 -0.68 0.53 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.633 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -91.83 -34.26 7.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.81 -31.37 1.33 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.557 -0.966 . . . . 0.0 108.839 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 6' ' ' ILE . 57.9 t80 -41.85 -31.0 0.28 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.624 -0.673 . . . . 0.0 110.308 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 m -59.79 -47.03 87.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 108.791 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.7 22.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -48.7 -43.22 29.12 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 50.8 mtpt -52.82 -51.33 61.28 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -39.24 80.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.523 -0.736 . . . . 0.0 109.319 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.46 -26.12 16.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.708 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.05 -8.53 55.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -94.39 -30.42 14.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.55 -49.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.708 HH21 ' HE2' ' A' ' 17' ' ' HIS . 38.9 mtp180 -54.47 -40.22 68.23 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -69.64 -16.36 63.36 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.4 tpt180 -103.17 32.67 3.64 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.746 -0.596 . . . . 0.0 109.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 25' ' ' ARG . 47.1 mtp180 -58.67 80.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.149 -0.97 . . . . 0.0 108.681 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 23' ' ' ARG . 40.2 mtm180 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.559 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mt -81.73 -98.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.949 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.72 -15.78 0.08 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.973 -1.08 . . . . 0.0 110.94 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.7 p-80 -105.04 -15.9 14.96 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.349 -0.845 . . . . 0.0 108.88 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.483 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.4 -5.6 8.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.1 pt -87.73 -55.74 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.724 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -60.09 1.36 0.61 Allowed Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.614 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -94.72 -36.26 5.62 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.45 -46.05 2.29 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 11.3 t80 -44.07 -31.4 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.685 -0.635 . . . . 0.0 109.56 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -59.6 -46.61 88.45 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 -34.33 24.82 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.02 -43.38 31.66 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.2 mtpm? -55.29 -50.25 70.03 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -38.99 80.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.583 -0.698 . . . . 0.0 109.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.39 -27.37 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' HE2' HH21 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -72.29 -9.65 58.76 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.01 -27.78 16.13 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.78 -39.56 94.57 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.09 -50.02 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.546 HH21 ' HE2' ' A' ' 17' ' ' HIS . 70.6 mtp180 -53.96 -41.18 67.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -73.18 -17.21 61.39 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.8 tpt180 -100.77 25.09 8.28 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.491 -0.756 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -59.23 84.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.832 -1.167 . . . . 0.0 108.082 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.7 ptp180 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.678 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.4 mt -90.45 -82.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.142 -0.974 . . . . 0.0 109.787 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.707 ' NE2' ' HD1' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -157.78 -13.4 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 111.44 -179.096 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.707 ' HD1' ' NE2' ' A' ' 3' ' ' HIS . 5.3 p-80 -128.68 -28.18 2.51 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.146 -0.971 . . . . 0.0 108.764 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.498 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 9.1 pt -70.5 -9.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.5 pt -78.74 -55.94 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 CA-C-O 121.256 0.551 . . . . 0.0 109.535 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.07 0.13 0.58 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -93.47 -35.26 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.01 -44.39 2.05 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.8 t80 -42.91 -26.71 0.15 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.692 -0.63 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -63.34 -59.27 4.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.096 -1.003 . . . . 0.0 109.861 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.25 -31.94 38.41 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.85 -43.02 38.79 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.1 mtpp -56.75 -49.43 75.27 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.37 77.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.661 -0.649 . . . . 0.0 109.46 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.54 -29.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.682 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.61 -9.21 57.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -94.7 -26.35 16.33 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.89 -38.77 92.31 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -48.52 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.682 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 30.1 mtt-85 -58.07 -42.62 85.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.81 -19.16 65.78 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.3 tpt180 -94.38 29.77 2.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -56.72 87.91 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ARG . 29.4 mtp85 . . . . . 0 C--N 1.3 -1.547 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.579 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.3 mt -91.37 -98.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.216 -0.928 . . . . 0.0 109.687 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.1 -15.64 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.951 -1.093 . . . . 0.0 110.628 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.6 p-80 -102.41 -8.4 21.17 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.99 -0.02 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 0.0 108.854 179.381 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.619 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -89.77 -68.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.368 -0.833 . . . . 0.0 109.276 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.69 3.01 0.28 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -101.36 -33.97 4.66 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -117.48 -46.41 2.68 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.1 t80 -41.95 -29.79 0.23 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.294 0.568 . . . . 0.0 110.067 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -59.46 -47.56 85.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.258 -0.901 . . . . 0.0 108.697 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.5 -27.22 24.16 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.05 -43.36 40.87 Favored Glycine 0 N--CA 1.483 1.794 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.7 mttm -53.7 -50.43 65.9 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.25 79.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.572 -0.705 . . . . 0.0 109.363 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.33 -27.33 17.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.07 -10.18 59.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -93.51 -27.26 16.76 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.57 -40.59 95.29 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.37 -48.94 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.57 -41.07 76.28 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -67.23 -18.3 65.17 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.4 tpt180 -96.87 28.81 3.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.609 -0.682 . . . . 0.0 109.377 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.24 83.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' ARG . 44.0 mtp180 . . . . . 0 C--N 1.304 -1.394 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.692 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -60.5 -48.75 80.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.79 -43.33 47.51 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 18.5 mtpp -57.19 -47.76 80.46 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.81 80.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.656 -0.652 . . . . 0.0 109.427 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.56 -29.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.07 -9.82 58.69 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -94.24 -27.7 16.01 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.55 -39.48 93.78 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.98 -50.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -55.01 -41.52 71.42 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -68.0 -17.0 64.29 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' ILE . 8.1 tpt180 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 121.331 0.586 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.38 -0.825 . . . . 0.0 109.223 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -31.41 22.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.21 -43.46 50.79 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 52.0 mtpt -57.39 -47.58 81.31 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.11 79.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.646 -0.659 . . . . 0.0 109.406 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.52 -29.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.41 -9.47 58.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.259 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -94.33 -27.87 15.86 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.73 -39.68 92.4 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -48.42 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -56.95 -38.93 73.64 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.53 -15.67 62.3 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.697 -0.627 . . . . 0.0 109.57 179.707 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.237 0.542 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.9 p -62.39 -53.27 57.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.29 -32.45 29.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.01 -42.77 39.78 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 42.0 mtpt -55.66 -49.36 73.13 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.95 80.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.6 -0.687 . . . . 0.0 109.329 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.32 -27.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.75 -8.99 57.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -94.44 -28.62 15.39 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.72 -40.12 93.93 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.33 -50.02 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 45.8 mtp180 -53.91 -42.89 69.22 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -63.95 -19.43 65.13 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 20' ' ' ILE . 9.5 tpt180 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 t80 . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 121.269 0.557 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -59.31 -41.83 89.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.225 -0.922 . . . . 0.0 108.553 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.76 -32.71 18.98 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.28 -43.36 33.96 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.8 mtpp -58.31 -47.42 83.73 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.606 -0.683 . . . . 0.0 109.482 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.21 -29.05 18.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -10.92 60.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -94.1 -24.44 17.56 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.64 -39.28 91.25 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.57 -49.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 20' ' ' ILE . 67.2 mtp180 -55.73 -40.69 72.84 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -70.97 -14.13 62.25 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.659 -0.651 . . . . 0.0 110.1 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 121.32 0.581 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.9 p -60.34 -48.35 82.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.901 . . . . 0.0 108.957 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 -30.67 24.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.46 -43.31 44.56 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 47.0 mtpt -56.54 -48.74 76.63 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.36 78.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.669 -0.645 . . . . 0.0 109.365 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.34 -29.33 18.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -70.96 -8.05 50.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -94.65 -31.23 13.93 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.702 ' N ' HH11 ' A' ' 22' ' ' ARG . 4.1 tp -59.65 -39.91 85.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.3 -49.63 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.427 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -52.5 -41.29 63.29 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.702 HH11 ' N ' ' A' ' 19' ' ' LEU . 59.2 mtm180 -70.34 -17.81 63.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.7 tpt180 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 109.3 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.9 t80 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.231 0.538 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -62.57 -54.19 43.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -0.974 . . . . 0.0 109.596 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.0 32.33 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.52 -43.2 35.97 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 16.9 mtpp -56.25 -49.15 74.97 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.61 79.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.66 -28.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.35 -8.29 52.76 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HB3' ' HE ' ' A' ' 18' ' ' ARG . 15.8 mtp180 -94.26 -30.68 14.43 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.48 -39.72 84.64 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.16 -49.51 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.502 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' N ' HG12 ' A' ' 20' ' ' ILE . 75.3 mtp85 -54.03 -40.49 67.1 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -68.98 -18.2 64.03 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' ILE . 9.6 tpt180 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -59.73 -47.62 84.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.38 25.35 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.18 -43.69 33.32 Favored Glycine 0 N--CA 1.484 1.885 0 N-CA-C 107.883 -2.087 . . . . 0.0 107.883 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 30.1 mttm -53.22 -51.71 61.26 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.79 79.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.593 -0.692 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.39 -27.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.13 -9.64 58.7 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -93.31 -30.21 15.25 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -40.13 89.6 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.88 -49.77 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' N ' HG12 ' A' ' 20' ' ' ILE . 71.7 mtp180 -54.59 -41.15 69.57 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -70.78 -14.93 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ILE . 4.7 tpt180 . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.663 -0.648 . . . . 0.0 109.78 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.068 0.461 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.494 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.76 -29.23 22.51 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.54 -43.0 44.94 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.3 mtpp -56.17 -48.72 75.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.35 78.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.715 . . . . 0.0 109.396 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.4 mp -76.25 -29.18 18.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.1 -9.17 58.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.213 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.519 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 21.7 mtp180 -94.24 -26.99 16.4 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.71 ' N ' HH11 ' A' ' 22' ' ' ARG . 3.2 tp -64.0 -38.84 92.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -69.11 -49.86 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 HH21 ' CE1' ' A' ' 17' ' ' HIS . 61.1 mtp180 -55.01 -42.24 72.3 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.71 HH11 ' N ' ' A' ' 19' ' ' LEU . 84.5 mtm180 -68.55 -16.4 63.86 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' ILE . 7.3 tpt180 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.655 -0.653 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 121.166 0.508 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -59.74 -55.05 39.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.113 -0.992 . . . . 0.0 109.041 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.4 -28.24 29.04 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.97 -42.05 38.19 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.088 -2.005 . . . . 0.0 108.088 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.5 mtpp -55.85 -48.9 74.68 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.1 80.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.702 -0.624 . . . . 0.0 109.354 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.73 -9.44 58.29 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.419 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -94.11 -29.24 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.04 -39.76 91.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.64 -48.63 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -55.29 -41.01 71.74 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -67.61 -19.54 65.25 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . 10.9 tpt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.136 0.493 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -62.04 -47.41 84.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 108.953 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.98 22.53 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -43.56 46.9 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 8.0 mtpm? -55.91 -49.45 73.4 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.69 78.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.56 -0.712 . . . . 0.0 109.436 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.43 -29.05 18.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.695 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.28 -8.61 54.83 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -93.56 -31.23 14.61 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.14 -39.63 86.99 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.93 -49.78 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.695 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 25.3 mtt-85 -54.7 -41.6 70.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -68.87 -16.71 63.84 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.9 tpt180 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.755 -0.591 . . . . 0.0 109.497 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.242 0.544 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -59.81 -48.02 83.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.167 -0.958 . . . . 0.0 108.694 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.49 -31.77 24.32 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.24 -42.88 33.12 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 45.4 mtpt -56.35 -48.42 76.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.94 79.89 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -76.32 -29.12 18.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.33 -8.91 56.82 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -94.46 -29.84 14.74 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -60.19 -40.5 90.25 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.12 -49.69 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.52 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -53.75 -38.2 64.15 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -71.99 -16.97 62.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' ILE . 4.4 tpt180 . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.573 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.222 0.534 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 m -59.79 -47.03 87.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 108.791 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.7 22.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -48.7 -43.22 29.12 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 50.8 mtpt -52.82 -51.33 61.28 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -39.24 80.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.523 -0.736 . . . . 0.0 109.319 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.8 mp -76.46 -26.12 16.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.05 -8.53 55.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.292 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -94.39 -30.42 14.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.55 -49.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' N ' HG12 ' A' ' 20' ' ' ILE . 38.9 mtp180 -54.47 -40.22 68.23 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -69.64 -16.36 63.36 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.4 tpt180 . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.746 -0.596 . . . . 0.0 109.88 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.41 0.624 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -59.6 -46.61 88.45 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 -34.33 24.82 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.02 -43.38 31.66 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.2 mtpm? -55.29 -50.25 70.03 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -38.99 80.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.583 -0.698 . . . . 0.0 109.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.39 -27.37 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -9.65 58.76 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.01 -27.78 16.13 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.78 -39.56 94.57 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.09 -50.02 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -53.96 -41.18 67.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -73.18 -17.21 61.39 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.491 -0.756 . . . . 0.0 109.917 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 t80 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.136 0.493 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -63.34 -59.27 4.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.096 -1.003 . . . . 0.0 109.861 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.25 -31.94 38.41 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.85 -43.02 38.79 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.1 mtpp -56.75 -49.43 75.27 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.37 77.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.661 -0.649 . . . . 0.0 109.46 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.54 -29.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.712 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.61 -9.21 57.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -94.7 -26.35 16.33 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.89 -38.77 92.31 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.8 -48.52 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.712 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 30.1 mtt-85 -58.07 -42.62 85.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.81 -19.16 65.78 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.48 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.294 0.568 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -59.46 -47.56 85.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.258 -0.901 . . . . 0.0 108.697 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.5 -27.22 24.16 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.05 -43.36 40.87 Favored Glycine 0 N--CA 1.483 1.794 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.7 mttm -53.7 -50.43 65.9 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.25 79.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.572 -0.705 . . . . 0.0 109.363 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.33 -27.33 17.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.07 -10.18 59.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -93.51 -27.26 16.76 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.57 -40.59 95.29 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.37 -48.94 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.57 -41.07 76.28 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -67.23 -18.3 65.17 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 7.4 tpt180 . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.609 -0.682 . . . . 0.0 109.377 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.442 ' N ' HD12 ' A' ' 2' ' ' ILE . 45.0 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.828 HD12 ' N ' ' A' ' 2' ' ' ILE . 2.2 mp -97.12 -93.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.248 -0.908 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.406 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -157.01 -13.8 0.09 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.0 . . . . 0.0 110.36 -178.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' CE1' HG22 ' A' ' 5' ' ' ILE . 15.0 p80 -104.95 -10.66 17.12 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.596 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.33 -1.79 7.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.575 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -89.7 -57.67 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.35 -0.51 0.54 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -92.6 -34.44 6.97 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.39 -35.32 1.77 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' ILE . 30.2 t80 -45.36 -29.09 0.97 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.615 -0.678 . . . . 0.0 109.759 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -60.5 -48.75 80.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.79 -43.33 47.51 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 18.5 mtpp -57.19 -47.76 80.46 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.81 80.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.656 -0.652 . . . . 0.0 109.427 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.56 -29.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.07 -9.82 58.69 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -94.24 -27.7 16.01 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.55 -39.48 93.78 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.98 -50.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -55.01 -41.52 71.42 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -68.0 -17.0 64.29 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 25' ' ' ARG . 8.1 tpt180 -98.55 31.54 2.84 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -58.24 81.14 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.986 . . . . 0.0 108.818 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' ARG . 37.5 mtt85 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.609 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.466 ' H2 ' HG13 ' A' ' 5' ' ' ILE . 53.2 m-85 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.462 HG22 ' ND1' ' A' ' 3' ' ' HIS . 43.7 mt -79.81 -98.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 109.817 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -157.29 -14.21 0.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 110.634 -178.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.509 ' CE1' HG22 ' A' ' 5' ' ' ILE . 13.2 p80 -105.33 -14.22 15.41 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.549 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -82.38 -5.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -86.08 -55.23 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.334 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.8 -0.92 0.71 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -87.33 -37.83 8.03 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.04 -36.88 1.74 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 6' ' ' ILE . 23.0 t80 -44.87 -31.78 1.36 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.633 -0.667 . . . . 0.0 109.711 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.38 -0.825 . . . . 0.0 109.223 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -31.41 22.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.21 -43.46 50.79 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 52.0 mtpt -57.39 -47.58 81.31 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.11 79.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.646 -0.659 . . . . 0.0 109.406 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.52 -29.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.41 -9.47 58.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.259 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -94.33 -27.87 15.86 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.73 -39.68 92.4 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -48.42 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -56.95 -38.93 73.64 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.53 -15.67 62.3 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 10.0 tpt180 -98.74 27.3 4.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.697 -0.627 . . . . 0.0 109.57 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -58.4 86.62 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 23' ' ' ARG . 65.1 mtp180 . . . . . 0 C--N 1.302 -1.48 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.628 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.485 HG22 ' ND1' ' A' ' 3' ' ' HIS . 58.4 mt -75.13 -102.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.114 -0.991 . . . . 0.0 109.656 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.485 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -155.27 -12.5 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 110.409 -179.285 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.436 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.1 p-80 -107.02 -15.16 14.76 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.55 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.61 -1.27 5.06 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.742 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.89 2.14 0.45 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -95.1 -31.83 7.42 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -133.75 -34.56 1.01 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.621 -0.929 . . . . 0.0 108.527 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' ILE . 28.4 t80 -44.59 -25.22 0.25 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.602 -0.686 . . . . 0.0 109.817 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.9 p -62.39 -53.27 57.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.29 -32.45 29.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.01 -42.77 39.78 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 42.0 mtpt -55.66 -49.36 73.13 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.95 80.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.6 -0.687 . . . . 0.0 109.329 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.32 -27.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.75 -8.99 57.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -94.44 -28.62 15.39 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.72 -40.12 93.93 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.33 -50.02 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 45.8 mtp180 -53.91 -42.89 69.22 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -63.95 -19.43 65.13 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.5 tpt180 -99.51 34.75 2.13 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.3 82.8 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.215 -0.928 . . . . 0.0 109.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.7 ptm180 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.546 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 HG22 ' ND1' ' A' ' 3' ' ' HIS . 28.2 mt -89.14 -97.47 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -154.67 -14.37 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.1 -1.0 . . . . 0.0 110.333 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.7 p-80 -103.57 -10.13 18.7 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.58 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 0.17 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -91.33 -64.25 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 109.12 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.72 2.01 0.43 Allowed Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -98.34 -34.61 5.27 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -119.43 -45.33 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.7 t80 -44.18 -32.0 1.12 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.698 -0.626 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -59.31 -41.83 89.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.225 -0.922 . . . . 0.0 108.553 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.76 -32.71 18.98 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.28 -43.36 33.96 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.8 mtpp -58.31 -47.42 83.73 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.606 -0.683 . . . . 0.0 109.482 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.21 -29.05 18.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -10.92 60.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -94.1 -24.44 17.56 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.64 -39.28 91.25 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.57 -49.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 20' ' ' ILE . 67.2 mtp180 -55.73 -40.69 72.84 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -70.97 -14.13 62.25 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 25' ' ' ARG . 8.0 tpt180 -103.86 28.36 6.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.659 -0.651 . . . . 0.0 110.1 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -59.58 82.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.923 -1.111 . . . . 0.0 108.124 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' ARG . 65.6 mtm-85 . . . . . 0 C--N 1.304 -1.379 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.646 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.1 p90 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.476 HG22 ' ND1' ' A' ' 3' ' ' HIS . 68.1 mt -76.12 -97.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.087 -1.008 . . . . 0.0 109.759 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -157.97 -13.92 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.019 -1.05 . . . . 0.0 110.641 -178.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.518 ' CE1' HG22 ' A' ' 5' ' ' ILE . 14.0 p80 -106.08 -13.27 15.5 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.565 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -84.8 0.8 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.593 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.6 OUTLIER -93.05 -57.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.414 -0.804 . . . . 0.0 108.835 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.24 -0.13 0.46 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -89.13 -36.95 7.37 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 -32.76 1.57 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' ILE . 35.2 t80 -43.25 -29.55 0.41 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.511 -0.743 . . . . 0.0 109.94 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.9 p -60.34 -48.35 82.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.901 . . . . 0.0 108.957 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 -30.67 24.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.46 -43.31 44.56 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 47.0 mtpt -56.54 -48.74 76.63 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.36 78.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.669 -0.645 . . . . 0.0 109.365 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.34 -29.33 18.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -70.96 -8.05 50.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -94.65 -31.23 13.93 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.702 ' N ' HH11 ' A' ' 22' ' ' ARG . 4.1 tp -59.65 -39.91 85.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.3 -49.63 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.427 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -52.5 -41.29 63.29 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.702 HH11 ' N ' ' A' ' 19' ' ' LEU . 59.2 mtm180 -70.34 -17.81 63.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.7 tpt180 -101.5 30.01 4.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 109.3 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.51 82.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.269 -0.894 . . . . 0.0 108.989 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 23' ' ' ARG . 51.2 mtp180 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.659 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.458 HG22 ' ND1' ' A' ' 3' ' ' HIS . 60.1 mt -77.65 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.458 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -153.09 -14.07 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.964 -1.085 . . . . 0.0 110.568 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.7 p-80 -104.75 -13.24 15.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -83.8 -6.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.564 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -88.4 -51.84 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.173 -0.954 . . . . 0.0 108.709 179.496 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.62 -0.98 0.68 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -85.46 -38.11 9.19 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.16 -36.55 1.31 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.9 t80 -46.26 -25.22 0.58 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.656 -0.652 . . . . 0.0 109.864 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -62.57 -54.19 43.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -0.974 . . . . 0.0 109.596 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.0 32.33 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.52 -43.2 35.97 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 16.9 mtpp -56.25 -49.15 74.97 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.61 79.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.66 -28.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.35 -8.29 52.76 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HB3' ' HE ' ' A' ' 18' ' ' ARG . 15.8 mtp180 -94.26 -30.68 14.43 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.48 -39.72 84.64 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.16 -49.51 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.502 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' N ' HG12 ' A' ' 20' ' ' ILE . 75.3 mtp85 -54.03 -40.49 67.1 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -68.98 -18.2 64.03 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.6 tpt180 -103.7 35.43 2.63 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -58.23 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.115 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ARG . 56.9 mtt85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.465 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.481 HG22 ' ND1' ' A' ' 3' ' ' HIS . 61.5 mt -82.86 -98.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.481 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -157.51 -13.86 0.08 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.012 -1.055 . . . . 0.0 110.631 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.519 ' CE1' HG22 ' A' ' 5' ' ' ILE . 13.1 p80 -106.01 -16.06 14.73 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -80.2 -3.86 6.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -88.61 -52.79 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.84 -0.95 0.73 Allowed Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -85.65 -38.82 8.55 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.97 -37.06 1.74 Allowed 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.6 t80 -47.6 -28.91 2.55 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.508 -0.745 . . . . 0.0 109.165 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -59.73 -47.62 84.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.38 25.35 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.18 -43.69 33.32 Favored Glycine 0 N--CA 1.484 1.885 0 N-CA-C 107.883 -2.087 . . . . 0.0 107.883 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 30.1 mttm -53.22 -51.71 61.26 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.79 79.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.593 -0.692 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.39 -27.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.13 -9.64 58.7 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -93.31 -30.21 15.25 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -40.13 89.6 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.88 -49.77 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' N ' HG12 ' A' ' 20' ' ' ILE . 71.7 mtp180 -54.59 -41.15 69.57 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -70.78 -14.93 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 25' ' ' ARG . 4.7 tpt180 -105.02 31.2 4.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.663 -0.648 . . . . 0.0 109.78 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -58.38 84.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.114 -0.991 . . . . 0.0 108.398 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 23' ' ' ARG . 27.7 ptt180 . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.535 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.543 ' H ' HD11 ' A' ' 5' ' ' ILE . 86.5 mt -93.1 -86.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.031 -1.043 . . . . 0.0 109.505 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.35 -13.35 0.09 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.156 -0.965 . . . . 0.0 111.384 -178.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.558 ' CD2' HG23 ' A' ' 5' ' ' ILE . 5.0 p-80 -126.74 -28.92 2.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.255 -0.903 . . . . 0.0 108.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.558 HG23 ' CD2' ' A' ' 4' ' ' HIS . 7.7 pt -70.36 -11.83 15.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.59 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.3 pt -74.36 -59.95 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.09 1.29 0.38 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -97.98 -32.43 6.18 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -130.67 -33.08 1.64 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.622 -0.928 . . . . 0.0 108.701 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' ILE . 50.3 t80 -41.74 -30.38 0.24 Allowed 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.751 -0.593 . . . . 0.0 110.19 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.494 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.76 -29.23 22.51 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.54 -43.0 44.94 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.3 mtpp -56.17 -48.72 75.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.35 78.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.715 . . . . 0.0 109.396 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.4 mp -76.25 -29.18 18.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.1 -9.17 58.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.213 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 21.7 mtp180 -94.24 -26.99 16.4 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.71 ' N ' HH11 ' A' ' 22' ' ' ARG . 3.2 tp -64.0 -38.84 92.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -69.11 -49.86 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 HH21 ' CE1' ' A' ' 17' ' ' HIS . 61.1 mtp180 -55.01 -42.24 72.3 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.71 HH11 ' N ' ' A' ' 19' ' ' LEU . 84.5 mtm180 -68.55 -16.4 63.86 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.3 tpt180 -101.99 29.68 4.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.655 -0.653 . . . . 0.0 109.824 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.4 84.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.955 -1.09 . . . . 0.0 108.151 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.3 mtp180 . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.895 -1.05 . . . . 0.0 109.637 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG22 ' ND1' ' A' ' 3' ' ' HIS . 48.8 mt -76.33 -101.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.84 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.477 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -154.69 -13.68 0.12 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.043 -1.036 . . . . 0.0 110.497 -179.102 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.515 ' CE1' HG22 ' A' ' 5' ' ' ILE . 11.7 p80 -104.94 -15.49 15.12 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.544 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -80.6 -5.15 8.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -87.74 -56.12 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.341 -0.849 . . . . 0.0 108.725 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.32 0.86 0.5 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -93.38 -34.39 6.71 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -131.09 -34.47 1.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.8 t80 -44.95 -25.03 0.27 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.57 -0.706 . . . . 0.0 109.87 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -59.74 -55.05 39.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.113 -0.992 . . . . 0.0 109.041 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.4 -28.24 29.04 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.97 -42.05 38.19 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.088 -2.005 . . . . 0.0 108.088 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.5 mtpp -55.85 -48.9 74.68 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.1 80.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.702 -0.624 . . . . 0.0 109.354 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.73 -9.44 58.29 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.419 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -94.11 -29.24 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.04 -39.76 91.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.64 -48.63 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -55.29 -41.01 71.74 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -67.61 -19.54 65.25 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 25' ' ' ARG . 10.9 tpt180 -95.35 29.14 2.62 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -58.55 84.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.089 -1.007 . . . . 0.0 108.377 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 23' ' ' ARG . 7.4 ptm180 . . . . . 0 C--N 1.302 -1.469 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.688 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.488 HG22 ' ND1' ' A' ' 3' ' ' HIS . 53.2 mt -77.11 -105.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.057 -1.027 . . . . 0.0 109.477 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.488 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -153.8 -12.8 0.14 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.536 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.4 p-80 -106.8 -12.19 15.57 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.574 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -85.31 1.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.589 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -94.87 -58.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.7 1.24 0.33 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.589 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -94.43 -33.93 6.59 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -130.69 -34.29 1.55 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.65 -0.912 . . . . 0.0 108.554 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' ILE . 44.6 t80 -41.72 -29.41 0.19 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.76 -0.587 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -62.04 -47.41 84.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 108.953 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.98 22.53 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -43.56 46.9 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 8.0 mtpm? -55.91 -49.45 73.4 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.69 78.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.56 -0.712 . . . . 0.0 109.436 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.43 -29.05 18.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.695 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.28 -8.61 54.83 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -93.56 -31.23 14.61 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.14 -39.63 86.99 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.93 -49.78 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.695 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 25.3 mtt-85 -54.7 -41.6 70.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -68.87 -16.71 63.84 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.9 tpt180 -103.18 33.64 3.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.755 -0.591 . . . . 0.0 109.497 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -58.78 80.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.201 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 23' ' ' ARG . 70.6 mtt180 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.705 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.467 HG22 ' ND1' ' A' ' 3' ' ' HIS . 33.1 mm -78.36 -104.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.847 . . . . 0.0 109.634 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.467 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -152.24 -12.26 0.18 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.963 -1.086 . . . . 0.0 110.83 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.6 p-80 -107.74 -13.52 15.0 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.552 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -84.43 1.82 4.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -95.19 -56.57 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.65 0.5 0.43 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -92.26 -32.46 8.28 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -137.25 -30.7 0.84 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.536 -0.979 . . . . 0.0 108.984 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' ILE . 47.5 t80 -42.51 -29.47 0.28 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.624 -0.672 . . . . 0.0 110.133 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -59.81 -48.02 83.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.167 -0.958 . . . . 0.0 108.694 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.49 -31.77 24.32 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.24 -42.88 33.12 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 45.4 mtpt -56.35 -48.42 76.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.94 79.89 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -76.32 -29.12 18.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.33 -8.91 56.82 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -94.46 -29.84 14.74 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -60.19 -40.5 90.25 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.12 -49.69 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.52 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -53.75 -38.2 64.15 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -71.99 -16.97 62.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 4.4 tpt180 -101.44 28.23 5.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.573 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -59.55 84.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 108.308 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ARG . 26.9 ptt180 . . . . . 0 C--N 1.301 -1.523 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.458 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 p90 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.239 0.543 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.442 HG22 ' ND1' ' A' ' 3' ' ' HIS . 29.2 mt -82.18 -103.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.212 -0.93 . . . . 0.0 109.952 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.442 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -152.08 -12.75 0.19 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.025 -1.047 . . . . 0.0 110.269 -179.161 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.0 p-80 -104.91 -11.59 16.64 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.58 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -85.57 -0.6 6.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -90.18 -58.54 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.16 -0.68 0.53 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -91.83 -34.26 7.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.81 -31.37 1.33 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.557 -0.966 . . . . 0.0 108.839 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 6' ' ' ILE . 57.9 t80 -41.85 -31.0 0.28 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.624 -0.673 . . . . 0.0 110.308 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 m -59.79 -47.03 87.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 108.791 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.7 22.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -48.7 -43.22 29.12 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 50.8 mtpt -52.82 -51.33 61.28 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -39.24 80.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.523 -0.736 . . . . 0.0 109.319 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.8 mp -76.46 -26.12 16.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.05 -8.53 55.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.292 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -94.39 -30.42 14.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.55 -49.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' N ' HG12 ' A' ' 20' ' ' ILE . 38.9 mtp180 -54.47 -40.22 68.23 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -69.64 -16.36 63.36 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.4 tpt180 -103.17 32.67 3.64 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.746 -0.596 . . . . 0.0 109.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 25' ' ' ARG . 47.1 mtp180 -58.67 80.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.149 -0.97 . . . . 0.0 108.681 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 23' ' ' ARG . 40.2 mtm180 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.559 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.476 HG22 ' ND1' ' A' ' 3' ' ' HIS . 26.4 mt -81.73 -98.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.949 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -157.72 -15.78 0.08 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.973 -1.08 . . . . 0.0 110.94 -178.783 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.526 ' CE1' HG22 ' A' ' 5' ' ' ILE . 13.0 p80 -105.04 -15.9 14.96 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.349 -0.845 . . . . 0.0 108.88 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.4 -5.6 8.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' PHE . 1.1 pt -87.73 -55.74 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.724 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -60.09 1.36 0.61 Allowed Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.567 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -94.72 -36.26 5.62 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.45 -46.05 2.29 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 11.3 t80 -44.07 -31.4 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.685 -0.635 . . . . 0.0 109.56 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -59.6 -46.61 88.45 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 -34.33 24.82 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.02 -43.38 31.66 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.2 mtpm? -55.29 -50.25 70.03 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -38.99 80.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.583 -0.698 . . . . 0.0 109.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.39 -27.37 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -9.65 58.76 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.01 -27.78 16.13 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.78 -39.56 94.57 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.09 -50.02 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -53.96 -41.18 67.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -73.18 -17.21 61.39 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.8 tpt180 -100.77 25.09 8.28 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.491 -0.756 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -59.23 84.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.832 -1.167 . . . . 0.0 108.082 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.7 ptp180 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.678 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.516 ' H ' HD11 ' A' ' 5' ' ' ILE . 81.4 mt -90.45 -82.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.142 -0.974 . . . . 0.0 109.787 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.521 ' NE2' ' ND1' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -157.78 -13.4 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 111.44 -179.096 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.554 ' CD2' HG23 ' A' ' 5' ' ' ILE . 5.3 p-80 -128.68 -28.18 2.51 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.146 -0.971 . . . . 0.0 108.764 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.554 HG23 ' CD2' ' A' ' 4' ' ' HIS . 9.1 pt -70.5 -9.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.5 pt -78.74 -55.94 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 CA-C-O 121.256 0.551 . . . . 0.0 109.535 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.07 0.13 0.58 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -93.47 -35.26 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.01 -44.39 2.05 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.8 t80 -42.91 -26.71 0.15 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.692 -0.63 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -63.34 -59.27 4.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.096 -1.003 . . . . 0.0 109.861 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.25 -31.94 38.41 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.85 -43.02 38.79 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.1 mtpp -56.75 -49.43 75.27 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.37 77.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.661 -0.649 . . . . 0.0 109.46 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.54 -29.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.712 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.61 -9.21 57.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -94.7 -26.35 16.33 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.89 -38.77 92.31 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.8 -48.52 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.712 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 30.1 mtt-85 -58.07 -42.62 85.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.81 -19.16 65.78 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.3 tpt180 -94.38 29.77 2.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -56.72 87.91 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ARG . 29.4 mtp85 . . . . . 0 C--N 1.3 -1.547 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.579 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.464 HG22 ' ND1' ' A' ' 3' ' ' HIS . 62.3 mt -91.37 -98.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.216 -0.928 . . . . 0.0 109.687 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.464 ' ND1' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -157.1 -15.64 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.951 -1.093 . . . . 0.0 110.628 -179.027 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.6 p-80 -102.41 -8.4 21.17 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.99 -0.02 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 0.0 108.854 179.381 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -89.77 -68.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.368 -0.833 . . . . 0.0 109.276 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.69 3.01 0.28 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -101.36 -33.97 4.66 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -117.48 -46.41 2.68 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.1 t80 -41.95 -29.79 0.23 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.294 0.568 . . . . 0.0 110.067 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -59.46 -47.56 85.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.258 -0.901 . . . . 0.0 108.697 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.5 -27.22 24.16 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.05 -43.36 40.87 Favored Glycine 0 N--CA 1.483 1.794 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.7 mttm -53.7 -50.43 65.9 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.25 79.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.572 -0.705 . . . . 0.0 109.363 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.33 -27.33 17.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.07 -10.18 59.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -93.51 -27.26 16.76 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.57 -40.59 95.29 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.37 -48.94 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.57 -41.07 76.28 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -67.23 -18.3 65.17 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.4 tpt180 -96.87 28.81 3.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.609 -0.682 . . . . 0.0 109.377 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.24 83.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' ARG . 44.0 mtp180 . . . . . 0 C--N 1.304 -1.394 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.692 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 121.301 0.572 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -60.5 -48.75 80.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.79 -43.33 47.51 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 18.5 mtpp -57.19 -47.76 80.46 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.81 80.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.656 -0.652 . . . . 0.0 109.427 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.56 -29.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.07 -9.82 58.69 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -94.24 -27.7 16.01 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.55 -39.48 93.78 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.98 -50.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -55.01 -41.52 71.42 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -68.0 -17.0 64.29 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' ILE . 8.1 tpt180 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 t80 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 121.331 0.586 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.38 -0.825 . . . . 0.0 109.223 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -31.41 22.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.21 -43.46 50.79 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 52.0 mtpt -57.39 -47.58 81.31 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.11 79.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.646 -0.659 . . . . 0.0 109.406 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.52 -29.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.41 -9.47 58.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -94.33 -27.87 15.86 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.73 -39.68 92.4 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -48.42 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -56.95 -38.93 73.64 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.53 -15.67 62.3 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.697 -0.627 . . . . 0.0 109.57 179.707 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.237 0.542 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.9 p -62.39 -53.27 57.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.29 -32.45 29.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.01 -42.77 39.78 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 42.0 mtpt -55.66 -49.36 73.13 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.95 80.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.6 -0.687 . . . . 0.0 109.329 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.32 -27.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.75 -8.99 57.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -94.44 -28.62 15.39 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.72 -40.12 93.93 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.33 -50.02 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 45.8 mtp180 -53.91 -42.89 69.22 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -63.95 -19.43 65.13 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 20' ' ' ILE . 9.5 tpt180 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 t80 . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 121.269 0.557 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -59.31 -41.83 89.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.225 -0.922 . . . . 0.0 108.553 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.76 -32.71 18.98 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.28 -43.36 33.96 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.8 mtpp -58.31 -47.42 83.73 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.606 -0.683 . . . . 0.0 109.482 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.21 -29.05 18.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -10.92 60.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -94.1 -24.44 17.56 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.64 -39.28 91.25 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.57 -49.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 20' ' ' ILE . 67.2 mtp180 -55.73 -40.69 72.84 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -70.97 -14.13 62.25 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.659 -0.651 . . . . 0.0 110.1 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 121.32 0.581 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.9 p -60.34 -48.35 82.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.901 . . . . 0.0 108.957 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 -30.67 24.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.46 -43.31 44.56 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 47.0 mtpt -56.54 -48.74 76.63 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.36 78.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.669 -0.645 . . . . 0.0 109.365 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.34 -29.33 18.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -70.96 -8.05 50.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -94.65 -31.23 13.93 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.702 ' N ' HH11 ' A' ' 22' ' ' ARG . 4.1 tp -59.65 -39.91 85.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.3 -49.63 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -52.5 -41.29 63.29 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.702 HH11 ' N ' ' A' ' 19' ' ' LEU . 59.2 mtm180 -70.34 -17.81 63.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.7 tpt180 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 109.3 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.9 t80 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.231 0.538 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -62.57 -54.19 43.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -0.974 . . . . 0.0 109.596 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.0 32.33 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.52 -43.2 35.97 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 16.9 mtpp -56.25 -49.15 74.97 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.61 79.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.66 -28.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.35 -8.29 52.76 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HB3' ' HE ' ' A' ' 18' ' ' ARG . 15.8 mtp180 -94.26 -30.68 14.43 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.48 -39.72 84.64 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.16 -49.51 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.502 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' N ' HG12 ' A' ' 20' ' ' ILE . 75.3 mtp85 -54.03 -40.49 67.1 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -68.98 -18.2 64.03 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 20' ' ' ILE . 9.6 tpt180 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -59.73 -47.62 84.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.38 25.35 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.18 -43.69 33.32 Favored Glycine 0 N--CA 1.484 1.885 0 N-CA-C 107.883 -2.087 . . . . 0.0 107.883 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 30.1 mttm -53.22 -51.71 61.26 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.79 79.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.593 -0.692 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.39 -27.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.13 -9.64 58.7 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -93.31 -30.21 15.25 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -40.13 89.6 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.88 -49.77 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' N ' HG12 ' A' ' 20' ' ' ILE . 71.7 mtp180 -54.59 -41.15 69.57 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -70.78 -14.93 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ILE . 4.7 tpt180 . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.663 -0.648 . . . . 0.0 109.78 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.068 0.461 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.494 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.76 -29.23 22.51 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.54 -43.0 44.94 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.3 mtpp -56.17 -48.72 75.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.35 78.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.715 . . . . 0.0 109.396 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.4 mp -76.25 -29.18 18.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.1 -9.17 58.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.519 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 21.7 mtp180 -94.24 -26.99 16.4 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.71 ' N ' HH11 ' A' ' 22' ' ' ARG . 3.2 tp -64.0 -38.84 92.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -69.11 -49.86 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 HH21 ' CE1' ' A' ' 17' ' ' HIS . 61.1 mtp180 -55.01 -42.24 72.3 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.71 HH11 ' N ' ' A' ' 19' ' ' LEU . 84.5 mtm180 -68.55 -16.4 63.86 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' ILE . 7.3 tpt180 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.655 -0.653 . . . . 0.0 109.824 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 121.166 0.508 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -59.74 -55.05 39.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.113 -0.992 . . . . 0.0 109.041 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.4 -28.24 29.04 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.97 -42.05 38.19 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.088 -2.005 . . . . 0.0 108.088 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.5 mtpp -55.85 -48.9 74.68 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.1 80.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.702 -0.624 . . . . 0.0 109.354 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.73 -9.44 58.29 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.419 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -94.11 -29.24 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.04 -39.76 91.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.64 -48.63 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -55.29 -41.01 71.74 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -67.61 -19.54 65.25 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' ILE . 10.9 tpt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 121.136 0.493 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -62.04 -47.41 84.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 108.953 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.98 22.53 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -43.56 46.9 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 8.0 mtpm? -55.91 -49.45 73.4 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.69 78.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.56 -0.712 . . . . 0.0 109.436 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.43 -29.05 18.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.695 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.28 -8.61 54.83 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -93.56 -31.23 14.61 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.14 -39.63 86.99 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.93 -49.78 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.695 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 25.3 mtt-85 -54.7 -41.6 70.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -68.87 -16.71 63.84 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.9 tpt180 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.755 -0.591 . . . . 0.0 109.497 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 121.242 0.544 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -59.81 -48.02 83.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.167 -0.958 . . . . 0.0 108.694 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.49 -31.77 24.32 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.24 -42.88 33.12 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 45.4 mtpt -56.35 -48.42 76.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.94 79.89 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -76.32 -29.12 18.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.33 -8.91 56.82 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -94.46 -29.84 14.74 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -60.19 -40.5 90.25 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.12 -49.69 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.52 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -53.75 -38.2 64.15 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -71.99 -16.97 62.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' ILE . 4.4 tpt180 . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.573 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.222 0.534 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 m -59.79 -47.03 87.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 108.791 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.7 22.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -48.7 -43.22 29.12 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 50.8 mtpt -52.82 -51.33 61.28 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -39.24 80.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.523 -0.736 . . . . 0.0 109.319 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.8 mp -76.46 -26.12 16.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.05 -8.53 55.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -94.39 -30.42 14.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.55 -49.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' N ' HG12 ' A' ' 20' ' ' ILE . 38.9 mtp180 -54.47 -40.22 68.23 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -69.64 -16.36 63.36 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' ILE . 6.4 tpt180 . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.746 -0.596 . . . . 0.0 109.88 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.41 0.624 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -59.6 -46.61 88.45 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 -34.33 24.82 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.02 -43.38 31.66 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.2 mtpm? -55.29 -50.25 70.03 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -38.99 80.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.583 -0.698 . . . . 0.0 109.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.39 -27.37 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -9.65 58.76 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.01 -27.78 16.13 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.78 -39.56 94.57 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.09 -50.02 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -53.96 -41.18 67.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -73.18 -17.21 61.39 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.491 -0.756 . . . . 0.0 109.917 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 t80 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 121.136 0.493 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -63.34 -59.27 4.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.096 -1.003 . . . . 0.0 109.861 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.25 -31.94 38.41 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.85 -43.02 38.79 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.1 mtpp -56.75 -49.43 75.27 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.37 77.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.661 -0.649 . . . . 0.0 109.46 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.54 -29.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.712 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.61 -9.21 57.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -94.7 -26.35 16.33 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.89 -38.77 92.31 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.8 -48.52 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.712 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 30.1 mtt-85 -58.07 -42.62 85.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.81 -19.16 65.78 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.48 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 t80 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.294 0.568 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -59.46 -47.56 85.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.258 -0.901 . . . . 0.0 108.697 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.5 -27.22 24.16 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.05 -43.36 40.87 Favored Glycine 0 N--CA 1.483 1.794 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.7 mttm -53.7 -50.43 65.9 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.25 79.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.572 -0.705 . . . . 0.0 109.363 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.33 -27.33 17.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.07 -10.18 59.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -93.51 -27.26 16.76 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.57 -40.59 95.29 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.37 -48.94 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.57 -41.07 76.28 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -67.23 -18.3 65.17 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 7.4 tpt180 . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.609 -0.682 . . . . 0.0 109.377 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.442 ' N ' HD12 ' A' ' 2' ' ' ILE . 45.0 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.828 HD12 ' N ' ' A' ' 2' ' ' ILE . 2.2 mp -97.12 -93.19 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.248 -0.908 . . . . 0.0 109.517 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.606 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.01 -13.8 0.09 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.0 . . . . 0.0 110.36 -178.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 6.1 p-80 -104.95 -10.66 17.12 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.596 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -86.33 -1.79 7.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.575 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -89.7 -57.67 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.35 -0.51 0.54 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -92.6 -34.44 6.97 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.39 -35.32 1.77 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' ILE . 30.2 t80 -45.36 -29.09 0.97 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.615 -0.678 . . . . 0.0 109.759 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.4 m -60.5 -48.75 80.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.79 -43.33 47.51 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 18.5 mtpp -57.19 -47.76 80.46 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.81 80.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.656 -0.652 . . . . 0.0 109.427 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.56 -29.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.07 -9.82 58.69 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -94.24 -27.7 16.01 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.55 -39.48 93.78 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.98 -50.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -55.01 -41.52 71.42 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -68.0 -17.0 64.29 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 25' ' ' ARG . 8.1 tpt180 -98.55 31.54 2.84 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -58.24 81.14 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.986 . . . . 0.0 108.818 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' ARG . 37.5 mtt85 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.609 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.466 ' H2 ' HG13 ' A' ' 5' ' ' ILE . 53.2 m-85 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.664 HG22 ' CD2' ' A' ' 3' ' ' HIS . 43.7 mt -79.81 -98.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 109.817 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.664 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.29 -14.21 0.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 110.634 -178.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.8 p-80 -105.33 -14.22 15.41 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.549 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -82.38 -5.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -86.08 -55.23 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.8 -0.92 0.71 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -87.33 -37.83 8.03 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 108.888 -1.685 . . . . 0.0 108.888 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.04 -36.88 1.74 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 6' ' ' ILE . 23.0 t80 -44.87 -31.78 1.36 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.633 -0.667 . . . . 0.0 109.711 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.38 -0.825 . . . . 0.0 109.223 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.03 -31.41 22.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.21 -43.46 50.79 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 107.731 -2.148 . . . . 0.0 107.731 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 52.0 mtpt -57.39 -47.58 81.31 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.11 79.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.646 -0.659 . . . . 0.0 109.406 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.52 -29.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.41 -9.47 58.22 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -94.33 -27.87 15.86 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.73 -39.68 92.4 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -48.42 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -56.95 -38.93 73.64 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -71.53 -15.67 62.3 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 10.0 tpt180 -98.74 27.3 4.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.697 -0.627 . . . . 0.0 109.57 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -58.4 86.62 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 23' ' ' ARG . 65.1 mtp180 . . . . . 0 C--N 1.302 -1.48 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.628 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.677 HG22 ' CD2' ' A' ' 3' ' ' HIS . 58.4 mt -75.13 -102.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.114 -0.991 . . . . 0.0 109.656 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.677 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -155.27 -12.5 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.056 -1.028 . . . . 0.0 110.409 -179.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.436 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.1 p-80 -107.02 -15.16 14.76 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.55 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.61 -1.27 5.06 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER -91.4 -55.93 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.89 2.14 0.45 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -95.1 -31.83 7.42 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -133.75 -34.56 1.01 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.621 -0.929 . . . . 0.0 108.527 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' ILE . 28.4 t80 -44.59 -25.22 0.25 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.602 -0.686 . . . . 0.0 109.817 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.9 p -62.39 -53.27 57.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.29 -32.45 29.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.01 -42.77 39.78 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 42.0 mtpt -55.66 -49.36 73.13 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.95 80.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.6 -0.687 . . . . 0.0 109.329 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.32 -27.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.75 -8.99 57.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -94.44 -28.62 15.39 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.72 -40.12 93.93 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.33 -50.02 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 20' ' ' ILE . 45.8 mtp180 -53.91 -42.89 69.22 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -63.95 -19.43 65.13 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.5 tpt180 -99.51 34.75 2.13 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.3 82.8 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.215 -0.928 . . . . 0.0 109.163 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.7 ptm180 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.546 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.62 HG22 ' CD2' ' A' ' 3' ' ' HIS . 28.2 mt -89.14 -97.47 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.62 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -154.67 -14.37 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.1 -1.0 . . . . 0.0 110.333 -178.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.7 p-80 -103.57 -10.13 18.7 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.58 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -88.65 0.17 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -91.33 -64.25 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.321 -0.862 . . . . 0.0 109.12 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.72 2.01 0.43 Allowed Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -98.34 -34.61 5.27 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -119.43 -45.33 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.7 t80 -44.18 -32.0 1.12 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.698 -0.626 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -59.31 -41.83 89.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.225 -0.922 . . . . 0.0 108.553 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.76 -32.71 18.98 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.28 -43.36 33.96 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' CA ' ' HD1' ' A' ' 17' ' ' HIS . 14.8 mtpp -58.31 -47.42 83.73 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.606 -0.683 . . . . 0.0 109.482 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.21 -29.05 18.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' HD1' ' CA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -10.92 60.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -94.1 -24.44 17.56 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.64 -39.28 91.25 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.57 -49.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 20' ' ' ILE . 67.2 mtp180 -55.73 -40.69 72.84 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -70.97 -14.13 62.25 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 25' ' ' ARG . 8.0 tpt180 -103.86 28.36 6.72 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.659 -0.651 . . . . 0.0 110.1 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -59.58 82.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.923 -1.111 . . . . 0.0 108.124 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' ARG . 65.6 mtm-85 . . . . . 0 C--N 1.304 -1.379 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.646 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.1 p90 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.676 HG22 ' CD2' ' A' ' 3' ' ' HIS . 68.1 mt -76.12 -97.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.087 -1.008 . . . . 0.0 109.759 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.676 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.97 -13.92 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.019 -1.05 . . . . 0.0 110.641 -178.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 6.0 p-80 -106.08 -13.27 15.5 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.565 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -84.8 0.8 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.593 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.6 OUTLIER -93.05 -57.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.414 -0.804 . . . . 0.0 108.835 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.24 -0.13 0.46 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -89.13 -36.95 7.37 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.15 -32.76 1.57 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' ILE . 35.2 t80 -43.25 -29.55 0.41 Allowed 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.511 -0.743 . . . . 0.0 109.94 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.9 p -60.34 -48.35 82.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.901 . . . . 0.0 108.957 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 -30.67 24.05 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.46 -43.31 44.56 Favored Glycine 0 N--CA 1.484 1.892 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 47.0 mtpt -56.54 -48.74 76.63 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.36 78.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.669 -0.645 . . . . 0.0 109.365 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.34 -29.33 18.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 106.627 -1.619 . . . . 0.0 106.627 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -70.96 -8.05 50.37 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -94.65 -31.23 13.93 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.702 ' N ' HH11 ' A' ' 22' ' ' ARG . 4.1 tp -59.65 -39.91 85.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.3 -49.63 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.427 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -52.5 -41.29 63.29 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.702 HH11 ' N ' ' A' ' 19' ' ' LEU . 59.2 mtm180 -70.34 -17.81 63.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.7 tpt180 -101.5 30.01 4.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.69 -0.631 . . . . 0.0 109.3 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.51 82.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.269 -0.894 . . . . 0.0 108.989 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 23' ' ' ARG . 51.2 mtp180 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.659 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.661 HG22 ' CD2' ' A' ' 3' ' ' HIS . 60.1 mt -77.65 -102.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.661 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -153.09 -14.07 0.15 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.964 -1.085 . . . . 0.0 110.568 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.7 p-80 -104.75 -13.24 15.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -83.8 -6.87 10.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.564 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -88.4 -51.84 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.173 -0.954 . . . . 0.0 108.709 179.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.62 -0.98 0.68 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -85.46 -38.11 9.19 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.16 -36.55 1.31 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.9 t80 -46.26 -25.22 0.58 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.656 -0.652 . . . . 0.0 109.864 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.9 m -62.57 -54.19 43.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.142 -0.974 . . . . 0.0 109.596 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.0 32.33 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.52 -43.2 35.97 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 16.9 mtpp -56.25 -49.15 74.97 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.61 79.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.5 mp -76.66 -28.18 17.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.35 -8.29 52.76 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HB3' ' HE ' ' A' ' 18' ' ' ARG . 15.8 mtp180 -94.26 -30.68 14.43 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.48 -39.72 84.64 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -68.16 -49.51 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.502 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' N ' HG12 ' A' ' 20' ' ' ILE . 75.3 mtp85 -54.03 -40.49 67.1 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -68.98 -18.2 64.03 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.6 tpt180 -103.7 35.43 2.63 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -58.23 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.115 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ARG . 56.9 mtt85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.465 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.681 HG22 ' CD2' ' A' ' 3' ' ' HIS . 61.5 mt -82.86 -98.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.244 -0.91 . . . . 0.0 109.418 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.681 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.51 -13.86 0.08 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.012 -1.055 . . . . 0.0 110.631 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.8 p-80 -106.01 -16.06 14.73 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -80.2 -3.86 6.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -88.61 -52.79 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.84 -0.95 0.73 Allowed Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -85.65 -38.82 8.55 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.97 -37.06 1.74 Allowed 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.6 t80 -47.6 -28.91 2.55 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.508 -0.745 . . . . 0.0 109.165 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -59.73 -47.62 84.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.852 . . . . 0.0 109.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.38 25.35 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.18 -43.69 33.32 Favored Glycine 0 N--CA 1.484 1.885 0 N-CA-C 107.883 -2.087 . . . . 0.0 107.883 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 30.1 mttm -53.22 -51.71 61.26 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.79 79.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.593 -0.692 . . . . 0.0 109.297 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.39 -27.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.13 -9.64 58.7 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -93.31 -30.21 15.25 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -60.35 -40.13 89.6 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.88 -49.77 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.527 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' N ' HG12 ' A' ' 20' ' ' ILE . 71.7 mtp180 -54.59 -41.15 69.57 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -70.78 -14.93 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 25' ' ' ARG . 4.7 tpt180 -105.02 31.2 4.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.663 -0.648 . . . . 0.0 109.78 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -58.38 84.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.114 -0.991 . . . . 0.0 108.398 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 23' ' ' ARG . 27.7 ptt180 . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.535 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.543 ' H ' HD11 ' A' ' 5' ' ' ILE . 86.5 mt -93.1 -86.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.031 -1.043 . . . . 0.0 109.505 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.35 -13.35 0.09 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.156 -0.965 . . . . 0.0 111.384 -178.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.558 ' CD2' HG23 ' A' ' 5' ' ' ILE . 5.0 p-80 -126.74 -28.92 2.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.255 -0.903 . . . . 0.0 108.806 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.558 HG23 ' CD2' ' A' ' 4' ' ' HIS . 7.7 pt -70.36 -11.83 15.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.59 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.3 pt -74.36 -59.95 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.09 1.29 0.38 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -97.98 -32.43 6.18 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -130.67 -33.08 1.64 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.622 -0.928 . . . . 0.0 108.701 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' ILE . 50.3 t80 -41.74 -30.38 0.24 Allowed 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.751 -0.593 . . . . 0.0 110.19 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.21 -0.931 . . . . 0.0 108.494 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.76 -29.23 22.51 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.54 -43.0 44.94 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.3 mtpp -56.17 -48.72 75.8 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.35 78.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.557 -0.715 . . . . 0.0 109.396 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.4 mp -76.25 -29.18 18.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.1 -9.17 58.04 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' C ' ' HE ' ' A' ' 22' ' ' ARG . 21.7 mtp180 -94.24 -26.99 16.4 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.71 ' N ' HH11 ' A' ' 22' ' ' ARG . 3.2 tp -64.0 -38.84 92.53 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -69.11 -49.86 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 HH21 ' CE1' ' A' ' 17' ' ' HIS . 61.1 mtp180 -55.01 -42.24 72.3 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.71 HH11 ' N ' ' A' ' 19' ' ' LEU . 84.5 mtm180 -68.55 -16.4 63.86 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.3 tpt180 -101.99 29.68 4.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.655 -0.653 . . . . 0.0 109.824 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.4 84.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.955 -1.09 . . . . 0.0 108.151 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 23' ' ' ARG . 32.3 mtp180 . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.895 -1.05 . . . . 0.0 109.637 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.677 HG22 ' CD2' ' A' ' 3' ' ' HIS . 48.8 mt -76.33 -101.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.84 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.677 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -154.69 -13.68 0.12 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.043 -1.036 . . . . 0.0 110.497 -179.102 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.4 p-80 -104.94 -15.49 15.12 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.544 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -80.6 -5.15 8.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -87.74 -56.12 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.341 -0.849 . . . . 0.0 108.725 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.32 0.86 0.5 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -93.38 -34.39 6.71 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -131.09 -34.47 1.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.8 t80 -44.95 -25.03 0.27 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.57 -0.706 . . . . 0.0 109.87 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -59.74 -55.05 39.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.113 -0.992 . . . . 0.0 109.041 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.4 -28.24 29.04 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.97 -42.05 38.19 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.088 -2.005 . . . . 0.0 108.088 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.5 mtpp -55.85 -48.9 74.68 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.78 -39.1 80.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.702 -0.624 . . . . 0.0 109.354 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.73 -9.44 58.29 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.419 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -94.11 -29.24 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.04 -39.76 91.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.64 -48.63 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -55.29 -41.01 71.74 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -67.61 -19.54 65.25 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 25' ' ' ARG . 10.9 tpt180 -95.35 29.14 2.62 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -58.55 84.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.089 -1.007 . . . . 0.0 108.377 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 23' ' ' ARG . 7.4 ptm180 . . . . . 0 C--N 1.302 -1.469 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.688 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.691 HG22 ' CD2' ' A' ' 3' ' ' HIS . 53.2 mt -77.11 -105.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.057 -1.027 . . . . 0.0 109.477 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.691 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -153.8 -12.8 0.14 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.899 -1.126 . . . . 0.0 110.536 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.4 p-80 -106.8 -12.19 15.57 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.574 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -85.31 1.58 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.589 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -94.87 -58.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.7 1.24 0.33 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.589 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -94.43 -33.93 6.59 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -130.69 -34.29 1.55 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.65 -0.912 . . . . 0.0 108.554 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' ILE . 44.6 t80 -41.72 -29.41 0.19 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.76 -0.587 . . . . 0.0 110.296 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -62.04 -47.41 84.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.164 -0.96 . . . . 0.0 108.953 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.98 22.53 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -43.56 46.9 Favored Glycine 0 N--CA 1.484 1.856 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 8.0 mtpm? -55.91 -49.45 73.4 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.69 78.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.56 -0.712 . . . . 0.0 109.436 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.43 -29.05 18.39 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.695 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.28 -8.61 54.83 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -93.56 -31.23 14.61 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.14 -39.63 86.99 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.93 -49.78 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.695 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 25.3 mtt-85 -54.7 -41.6 70.46 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -68.87 -16.71 63.84 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.9 tpt180 -103.18 33.64 3.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.755 -0.591 . . . . 0.0 109.497 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -58.78 80.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.201 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 23' ' ' ARG . 70.6 mtt180 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.705 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.665 HG22 ' CD2' ' A' ' 3' ' ' HIS . 33.1 mm -78.36 -104.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.344 -0.847 . . . . 0.0 109.634 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.665 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -152.24 -12.26 0.18 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.963 -1.086 . . . . 0.0 110.83 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.6 p-80 -107.74 -13.52 15.0 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.552 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -84.43 1.82 4.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -95.19 -56.57 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.65 0.5 0.43 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -92.26 -32.46 8.28 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -137.25 -30.7 0.84 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.536 -0.979 . . . . 0.0 108.984 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 6' ' ' ILE . 47.5 t80 -42.51 -29.47 0.28 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.624 -0.672 . . . . 0.0 110.133 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 t -59.81 -48.02 83.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.167 -0.958 . . . . 0.0 108.694 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.49 -31.77 24.32 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.24 -42.88 33.12 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 45.4 mtpt -56.35 -48.42 76.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.94 79.89 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -76.32 -29.12 18.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.33 -8.91 56.82 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -94.46 -29.84 14.74 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -60.19 -40.5 90.25 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.12 -49.69 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.52 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -53.75 -38.2 64.15 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -71.99 -16.97 62.08 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 4.4 tpt180 -101.44 28.23 5.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.573 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -59.55 84.69 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 108.308 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ARG . 26.9 ptt180 . . . . . 0 C--N 1.301 -1.523 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.458 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 p90 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.239 0.543 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.642 HG22 ' CD2' ' A' ' 3' ' ' HIS . 29.2 mt -82.18 -103.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.212 -0.93 . . . . 0.0 109.952 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.642 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -152.08 -12.75 0.19 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.025 -1.047 . . . . 0.0 110.269 -179.161 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.0 p-80 -104.91 -11.59 16.64 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.58 ' H ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -85.57 -0.6 6.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -90.18 -58.54 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -58.16 -0.68 0.53 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -91.83 -34.26 7.39 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.81 -31.37 1.33 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.557 -0.966 . . . . 0.0 108.839 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' A' ' 6' ' ' ILE . 57.9 t80 -41.85 -31.0 0.28 Allowed 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.624 -0.673 . . . . 0.0 110.308 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 m -59.79 -47.03 87.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 0.0 108.791 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.27 -31.7 22.95 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -48.7 -43.22 29.12 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 50.8 mtpt -52.82 -51.33 61.28 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -39.24 80.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.523 -0.736 . . . . 0.0 109.319 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 16' ' ' ILE . 2.8 mp -76.46 -26.12 16.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.05 -8.53 55.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -94.39 -30.42 14.49 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -67.55 -49.83 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' N ' HG12 ' A' ' 20' ' ' ILE . 38.9 mtp180 -54.47 -40.22 68.23 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -69.64 -16.36 63.36 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.4 tpt180 -103.17 32.67 3.64 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.746 -0.596 . . . . 0.0 109.88 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 25' ' ' ARG . 47.1 mtp180 -58.67 80.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.149 -0.97 . . . . 0.0 108.681 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 23' ' ' ARG . 40.2 mtm180 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.559 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.679 HG22 ' CD2' ' A' ' 3' ' ' HIS . 26.4 mt -81.73 -98.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.949 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.679 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.72 -15.78 0.08 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.973 -1.08 . . . . 0.0 110.94 -178.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 5.7 p-80 -105.04 -15.9 14.96 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.349 -0.845 . . . . 0.0 108.88 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.4 -5.6 8.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' PHE . 1.1 pt -87.73 -55.74 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.331 -0.856 . . . . 0.0 108.724 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -60.09 1.36 0.61 Allowed Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.236 -1.546 . . . . 0.0 109.236 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.567 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -94.72 -36.26 5.62 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.5 -1.84 . . . . 0.0 108.5 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.45 -46.05 2.29 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 6' ' ' ILE . 11.3 t80 -44.07 -31.4 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.685 -0.635 . . . . 0.0 109.56 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -59.6 -46.61 88.45 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.77 -34.33 24.82 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.02 -43.38 31.66 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.2 mtpm? -55.29 -50.25 70.03 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.87 -38.99 80.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.583 -0.698 . . . . 0.0 109.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.39 -27.37 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.29 -9.65 58.76 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.01 -27.78 16.13 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.78 -39.56 94.57 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.09 -50.02 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 20' ' ' ILE . 70.6 mtp180 -53.96 -41.18 67.53 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -73.18 -17.21 61.39 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ARG . 6.8 tpt180 -100.77 25.09 8.28 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.491 -0.756 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -59.23 84.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.832 -1.167 . . . . 0.0 108.082 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' ARG . 8.7 ptp180 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.678 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.516 ' H ' HD11 ' A' ' 5' ' ' ILE . 81.4 mt -90.45 -82.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.142 -0.974 . . . . 0.0 109.787 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.521 ' NE2' ' ND1' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -157.78 -13.4 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 111.44 -179.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.554 ' CD2' HG23 ' A' ' 5' ' ' ILE . 5.3 p-80 -128.68 -28.18 2.51 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.146 -0.971 . . . . 0.0 108.764 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.554 HG23 ' CD2' ' A' ' 4' ' ' HIS . 9.1 pt -70.5 -9.11 12.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' A' ' 8' ' ' GLY . 1.5 pt -78.74 -55.94 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 CA-C-O 121.256 0.551 . . . . 0.0 109.535 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' H ' HG13 ' A' ' 6' ' ' ILE . . . -59.07 0.13 0.58 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -93.47 -35.26 6.29 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 tp -124.01 -44.39 2.05 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 6' ' ' ILE . 13.8 t80 -42.91 -26.71 0.15 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.692 -0.63 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -63.34 -59.27 4.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.096 -1.003 . . . . 0.0 109.861 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.25 -31.94 38.41 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -49.85 -43.02 38.79 Favored Glycine 0 N--CA 1.484 1.899 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 17.1 mtpp -56.75 -49.43 75.27 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.37 77.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.661 -0.649 . . . . 0.0 109.46 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.54 -29.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.712 ' CD2' ' HE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -71.61 -9.21 57.88 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -94.7 -26.35 16.33 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.89 -38.77 92.31 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.8 -48.52 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.712 ' HE ' ' CD2' ' A' ' 17' ' ' HIS . 30.1 mtt-85 -58.07 -42.62 85.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.81 -19.16 65.78 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.3 tpt180 -94.38 29.77 2.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -56.72 87.91 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 23' ' ' ARG . 29.4 mtp85 . . . . . 0 C--N 1.3 -1.547 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.579 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.664 HG22 ' CD2' ' A' ' 3' ' ' HIS . 62.3 mt -91.37 -98.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.216 -0.928 . . . . 0.0 109.687 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.664 ' CD2' HG22 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -157.1 -15.64 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.951 -1.093 . . . . 0.0 110.628 -179.027 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 5.6 p-80 -102.41 -8.4 21.17 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' CD1' ' H ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.99 -0.02 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 0.0 108.854 179.381 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' H ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -89.77 -68.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.368 -0.833 . . . . 0.0 109.276 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.69 3.01 0.28 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . -101.36 -33.97 4.66 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -117.48 -46.41 2.68 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' N ' ' O ' ' A' ' 6' ' ' ILE . 15.1 t80 -41.95 -29.79 0.23 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.294 0.568 . . . . 0.0 110.067 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -59.46 -47.56 85.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.258 -0.901 . . . . 0.0 108.697 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.5 -27.22 24.16 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' HIS . . . -50.05 -43.36 40.87 Favored Glycine 0 N--CA 1.483 1.794 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.7 mttm -53.7 -50.43 65.9 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.25 79.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.572 -0.705 . . . . 0.0 109.363 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.33 -27.33 17.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -72.07 -10.18 59.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -93.51 -27.26 16.76 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.57 -40.59 95.29 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -68.37 -48.94 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.57 -41.07 76.28 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -67.23 -18.3 65.17 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' ARG . 7.4 tpt180 -96.87 28.81 3.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.609 -0.682 . . . . 0.0 109.377 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.24 83.84 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 23' ' ' ARG . 44.0 mtp180 . . . . . 0 C--N 1.304 -1.394 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.692 -179.122 . . . . . . . . 1 1 . 1 stop_ save_