data_1alf_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 1alf _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 C--O 1.241 0.633 0 CA-C-O 121.193 0.52 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -78.06 -49.18 14.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.747 0.784 . . . . 0.0 110.649 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -62.25 -33.89 75.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.558 1.17 . . . . 0.0 110.145 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -74.27 -27.52 60.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.994 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -55.45 -38.48 69.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.287 1.041 . . . . 0.0 110.387 178.146 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 30.9 t -70.01 -33.15 71.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.404 1.097 . . . . 0.0 110.519 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.38 14.26 8.36 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.448 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.8 m -114.39 -37.97 4.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.59 -40.13 73.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.377 1.084 . . . . 0.0 110.244 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.6 -15.05 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.526 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.13 -24.87 59.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.042 0.925 . . . . 0.0 110.481 174.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.3 t -84.92 -35.22 9.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.725 0.774 . . . . 0.0 111.098 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -74.54 -29.7 61.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.903 0.859 . . . . 0.0 111.156 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.8 tt0 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 121.662 0.744 . . . . 0.0 111.487 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.713 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.11 -48.79 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.829 0.823 . . . . 0.0 110.771 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.4 -33.59 75.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.565 1.174 . . . . 0.0 110.168 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -74.99 -26.14 59.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.709 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.77 -43.66 98.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.932 0.872 . . . . 0.0 110.946 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -67.93 -42.06 81.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.652 1.215 . . . . 0.0 110.464 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.6 15.96 2.36 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -111.11 -38.19 5.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.572 1.177 . . . . 0.0 109.995 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.75 -39.94 72.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.164 0.983 . . . . 0.0 110.08 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.58 -13.93 60.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.192 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.19 -22.76 57.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.842 0.83 . . . . 0.0 111.342 174.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -93.16 -30.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.959 1.361 . . . . 0.0 109.847 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.48 -37.64 77.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.561 1.172 . . . . 0.0 110.766 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.613 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 mtp . . . . . 0 C--O 1.242 0.705 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -49.8 12.9 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.563 -0.711 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.447 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -62.24 -34.65 76.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.674 1.226 . . . . 0.0 109.983 177.58 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -72.51 -27.42 62.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.673 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -43.89 93.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.915 0.864 . . . . 0.0 111.135 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.664 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.2 t -67.95 -42.29 81.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.539 1.161 . . . . 0.0 110.515 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.12 15.67 2.26 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -110.85 -39.42 4.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.33 1.062 . . . . 0.0 110.181 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.77 -40.67 69.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.405 1.098 . . . . 0.0 110.309 178.35 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.664 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.1 mt-30 -75.83 -15.87 60.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.632 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -74.79 -23.7 58.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.767 0.794 . . . . 0.0 110.567 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -85.1 -34.8 9.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.81 0.814 . . . . 0.0 110.916 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 10.9 mtmt -72.83 -31.57 64.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.037 0.922 . . . . 0.0 110.929 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 121.64 0.733 . . . . 0.0 111.386 178.385 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 mtt . . . . . 0 C--O 1.241 0.609 0 CA-C-O 121.178 0.513 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.59 15.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.755 0.788 . . . . 0.0 110.8 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.73 -33.37 75.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.531 1.157 . . . . 0.0 110.16 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -74.02 -28.74 61.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.585 0.707 . . . . 0.0 110.505 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -59.55 -42.97 93.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.122 0.963 . . . . 0.0 110.8 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.603 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.0 t -67.58 -43.19 81.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.553 1.168 . . . . 0.0 110.515 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -82.29 15.75 2.31 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -111.7 -38.03 5.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.48 1.133 . . . . 0.0 110.037 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.56 -39.17 77.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.605 1.193 . . . . 0.0 109.973 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.7 mt-30 -75.65 -18.17 59.75 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.149 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.11 -24.26 60.6 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.831 0.824 . . . . 0.0 110.688 174.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.24 -33.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.836 0.827 . . . . 0.0 111.254 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -31.39 65.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.892 0.853 . . . . 0.0 110.716 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.651 0.738 . . . . 0.0 111.257 177.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp . . . . . 0 C--O 1.242 0.707 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -52.17 9.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.716 0.77 . . . . 0.0 111.236 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.47 -33.28 73.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.619 1.2 . . . . 0.0 110.04 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -74.53 -26.9 60.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.782 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.33 -44.16 97.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.7 0.762 . . . . 0.0 111.152 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.6 t -68.1 -41.07 82.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.506 1.146 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.88 15.02 2.89 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.52 -38.53 4.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.478 1.132 . . . . 0.0 110.219 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -74.04 -38.54 63.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.059 0.933 . . . . 0.0 110.486 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 9' ' ' SER . 1.3 mt-30 -76.25 -17.48 59.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.208 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.11 -17.53 60.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.534 0.683 . . . . 0.0 111.462 175.114 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.05 -33.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 122.841 1.305 . . . . 0.0 109.898 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -64.28 -37.73 88.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.688 1.232 . . . . 0.0 110.436 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.105 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 122.017 0.913 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 5' ' ' ARG . . . -165.06 84.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.039 0.923 . . . . 0.0 110.971 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -87.08 -37.39 17.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.043 0.925 . . . . 0.0 110.963 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.1 mtt -97.09 -20.87 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.215 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.56 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 2.2 mtm180 -78.06 -49.18 14.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.747 0.784 . . . . 0.0 110.649 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' HG2' ' HB2' ' A' ' 2' ' ' ALA . 53.4 mm-40 -62.25 -33.89 75.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.558 1.17 . . . . 0.0 110.145 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -74.27 -27.52 60.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.994 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -55.45 -38.48 69.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.287 1.041 . . . . 0.0 110.387 178.146 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 30.9 t -70.01 -33.15 71.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.404 1.097 . . . . 0.0 110.519 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.38 14.26 8.36 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.448 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.8 m -114.39 -37.97 4.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.59 -40.13 73.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.377 1.084 . . . . 0.0 110.244 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.6 -15.05 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.526 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HZ1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.13 -24.87 59.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.042 0.925 . . . . 0.0 110.481 174.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.3 t -84.92 -35.22 9.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.725 0.774 . . . . 0.0 111.098 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -74.54 -29.7 61.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.903 0.859 . . . . 0.0 111.156 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.8 tt0 -72.77 -29.26 63.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.662 0.744 . . . . 0.0 111.487 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.585 ' HG3' ' HZ1' ' A' ' 14' ' ' LYS . 3.1 mmtp -72.2 -35.15 68.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.002 0.906 . . . . 0.0 110.965 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.27 2.169 0 CA-C-O 121.983 0.897 . . . . 0.0 110.981 179.593 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 122.001 0.905 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 1.091 ' HB3' ' HB2' ' A' ' 5' ' ' ARG . . . -174.92 94.69 0.07 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.046 0.927 . . . . 0.0 111.145 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -83.45 -40.82 18.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.212 1.006 . . . . 0.0 110.903 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.32 -15.38 21.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.49 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.091 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 1.2 mtm-85 -78.11 -48.79 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.829 0.823 . . . . 0.0 110.771 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.4 -33.59 75.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.565 1.174 . . . . 0.0 110.168 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -74.99 -26.14 59.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.709 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.77 -43.66 98.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.932 0.872 . . . . 0.0 110.946 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -67.93 -42.06 81.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.652 1.215 . . . . 0.0 110.464 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.6 15.96 2.36 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -111.11 -38.19 5.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.572 1.177 . . . . 0.0 109.995 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.75 -39.94 72.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.164 0.983 . . . . 0.0 110.08 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.58 -13.93 60.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.192 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.19 -22.76 57.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.842 0.83 . . . . 0.0 111.342 174.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -93.16 -30.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.959 1.361 . . . . 0.0 109.847 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.48 -37.64 77.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.561 1.172 . . . . 0.0 110.766 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.613 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -72.54 -34.98 67.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.959 0.885 . . . . 0.0 110.991 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--O 1.27 2.139 0 CA-C-O 122.039 0.923 . . . . 0.0 110.993 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.24 0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 6' ' ' GLU . . . 51.78 80.71 0.08 Allowed 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 122.048 0.928 . . . . 0.0 110.655 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -91.52 -38.01 12.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.185 0.993 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 mtp -91.43 -10.55 40.56 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -78.37 -49.8 12.9 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.563 -0.711 . . . . 0.0 110.958 178.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -62.24 -34.65 76.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.674 1.226 . . . . 0.0 109.983 177.58 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -72.51 -27.42 62.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.673 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -43.89 93.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.915 0.864 . . . . 0.0 111.135 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.664 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.2 t -67.95 -42.29 81.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.539 1.161 . . . . 0.0 110.515 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.12 15.67 2.26 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -110.85 -39.42 4.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.33 1.062 . . . . 0.0 110.181 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.77 -40.67 69.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.405 1.098 . . . . 0.0 110.309 178.35 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.664 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.1 mt-30 -75.83 -15.87 60.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.632 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -74.79 -23.7 58.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.767 0.794 . . . . 0.0 110.567 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -85.1 -34.8 9.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.81 0.814 . . . . 0.0 110.916 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 10.9 mtmt -72.83 -31.57 64.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.037 0.922 . . . . 0.0 110.929 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.38 -29.58 66.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.64 0.733 . . . . 0.0 111.386 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -42.66 58.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.004 0.907 . . . . 0.0 111.023 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.046 0.927 . . . . 0.0 111.071 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.484 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 120.645 0.26 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 1' ' ' SER . . . 68.14 69.75 0.32 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.061 0.934 . . . . 0.0 110.47 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -80.53 -41.41 24.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.216 1.008 . . . . 0.0 110.999 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 mtt -91.41 -19.53 22.77 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.27 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.59 15.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.755 0.788 . . . . 0.0 110.8 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.73 -33.37 75.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.531 1.157 . . . . 0.0 110.16 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -74.02 -28.74 61.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.585 0.707 . . . . 0.0 110.505 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -59.55 -42.97 93.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.122 0.963 . . . . 0.0 110.8 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.603 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.0 t -67.58 -43.19 81.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.553 1.168 . . . . 0.0 110.515 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -82.29 15.75 2.31 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -111.7 -38.03 5.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.48 1.133 . . . . 0.0 110.037 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.56 -39.17 77.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.605 1.193 . . . . 0.0 109.973 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.7 mt-30 -75.65 -18.17 59.75 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.149 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.11 -24.26 60.6 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.831 0.824 . . . . 0.0 110.688 174.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.24 -33.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.836 0.827 . . . . 0.0 111.254 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -31.39 65.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.892 0.853 . . . . 0.0 110.716 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.43 -28.11 65.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.651 0.738 . . . . 0.0 111.257 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -74.15 -41.86 60.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.005 0.907 . . . . 0.0 110.96 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.948 0.88 . . . . 0.0 111.014 179.001 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.239 0.519 0 CA-C-O 120.785 0.326 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.45 59.27 4.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.914 0.864 . . . . 0.0 110.975 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -80.08 -36.86 34.92 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.333 1.063 . . . . 0.0 110.803 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp -95.33 -12.86 25.39 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.685 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -52.17 9.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.716 0.77 . . . . 0.0 111.236 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.47 -33.28 73.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.619 1.2 . . . . 0.0 110.04 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -74.53 -26.9 60.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.782 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.33 -44.16 97.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.7 0.762 . . . . 0.0 111.152 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.6 t -68.1 -41.07 82.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.506 1.146 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.88 15.02 2.89 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.52 -38.53 4.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.478 1.132 . . . . 0.0 110.219 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -74.04 -38.54 63.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.059 0.933 . . . . 0.0 110.486 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 9' ' ' SER . 1.3 mt-30 -76.25 -17.48 59.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.208 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.11 -17.53 60.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.534 0.683 . . . . 0.0 111.462 175.114 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.05 -33.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 122.841 1.305 . . . . 0.0 109.898 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -64.28 -37.73 88.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.688 1.232 . . . . 0.0 110.436 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -29.05 69.83 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.105 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.934 0.873 . . . . 0.0 111.113 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--O 1.27 2.156 0 CA-C-O 122.004 0.907 . . . . 0.0 111.035 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 C--O 1.241 0.633 0 CA-C-O 121.193 0.52 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -78.06 -49.18 14.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.747 0.784 . . . . 0.0 110.649 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -62.25 -33.89 75.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.558 1.17 . . . . 0.0 110.145 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -74.27 -27.52 60.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.994 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.538 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -55.45 -38.48 69.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.287 1.041 . . . . 0.0 110.387 178.146 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 30.9 t -70.01 -33.15 71.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.404 1.097 . . . . 0.0 110.519 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.38 14.26 8.36 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.448 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.8 m -114.39 -37.97 4.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.59 -40.13 73.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.377 1.084 . . . . 0.0 110.244 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.6 -15.05 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.526 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.13 -24.87 59.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.042 0.925 . . . . 0.0 110.481 174.613 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.3 t -84.92 -35.22 9.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.725 0.774 . . . . 0.0 111.098 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -74.54 -29.7 61.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.903 0.859 . . . . 0.0 111.156 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.8 tt0 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 121.662 0.744 . . . . 0.0 111.487 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.713 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.11 -48.79 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.829 0.823 . . . . 0.0 110.771 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.4 -33.59 75.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.565 1.174 . . . . 0.0 110.168 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -74.99 -26.14 59.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.709 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.77 -43.66 98.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.932 0.872 . . . . 0.0 110.946 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -67.93 -42.06 81.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.652 1.215 . . . . 0.0 110.464 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.6 15.96 2.36 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -111.11 -38.19 5.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.572 1.177 . . . . 0.0 109.995 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.75 -39.94 72.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.164 0.983 . . . . 0.0 110.08 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.58 -13.93 60.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.192 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.19 -22.76 57.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.842 0.83 . . . . 0.0 111.342 174.71 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -93.16 -30.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.959 1.361 . . . . 0.0 109.847 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.48 -37.64 77.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.561 1.172 . . . . 0.0 110.766 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.613 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 mtp . . . . . 0 C--O 1.242 0.705 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -49.8 12.9 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.563 -0.711 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -62.24 -34.65 76.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.674 1.226 . . . . 0.0 109.983 177.58 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -72.51 -27.42 62.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.673 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -43.89 93.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.915 0.864 . . . . 0.0 111.135 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.2 t -67.95 -42.29 81.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.539 1.161 . . . . 0.0 110.515 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.12 15.67 2.26 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -110.85 -39.42 4.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.33 1.062 . . . . 0.0 110.181 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.77 -40.67 69.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.405 1.098 . . . . 0.0 110.309 178.35 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.1 mt-30 -75.83 -15.87 60.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.632 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -74.79 -23.7 58.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.767 0.794 . . . . 0.0 110.567 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -85.1 -34.8 9.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.81 0.814 . . . . 0.0 110.916 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 10.9 mtmt -72.83 -31.57 64.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.037 0.922 . . . . 0.0 110.929 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 121.64 0.733 . . . . 0.0 111.386 178.385 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 mtt . . . . . 0 C--O 1.241 0.609 0 CA-C-O 121.178 0.513 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.59 15.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.755 0.788 . . . . 0.0 110.8 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.73 -33.37 75.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.531 1.157 . . . . 0.0 110.16 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -74.02 -28.74 61.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.585 0.707 . . . . 0.0 110.505 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -59.55 -42.97 93.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.122 0.963 . . . . 0.0 110.8 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.0 t -67.58 -43.19 81.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.553 1.168 . . . . 0.0 110.515 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -82.29 15.75 2.31 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -111.7 -38.03 5.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.48 1.133 . . . . 0.0 110.037 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.56 -39.17 77.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.605 1.193 . . . . 0.0 109.973 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.7 mt-30 -75.65 -18.17 59.75 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.149 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.11 -24.26 60.6 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.831 0.824 . . . . 0.0 110.688 174.703 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.24 -33.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.836 0.827 . . . . 0.0 111.254 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -31.39 65.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.892 0.853 . . . . 0.0 110.716 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.651 0.738 . . . . 0.0 111.257 177.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp . . . . . 0 C--O 1.242 0.707 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -52.17 9.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.716 0.77 . . . . 0.0 111.236 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.47 -33.28 73.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.619 1.2 . . . . 0.0 110.04 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -74.53 -26.9 60.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.782 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.33 -44.16 97.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.7 0.762 . . . . 0.0 111.152 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.6 t -68.1 -41.07 82.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.506 1.146 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.88 15.02 2.89 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.52 -38.53 4.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.478 1.132 . . . . 0.0 110.219 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -74.04 -38.54 63.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.059 0.933 . . . . 0.0 110.486 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 9' ' ' SER . 1.3 mt-30 -76.25 -17.48 59.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.208 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.11 -17.53 60.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.534 0.683 . . . . 0.0 111.462 175.114 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.05 -33.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 122.841 1.305 . . . . 0.0 109.898 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -64.28 -37.73 88.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.688 1.232 . . . . 0.0 110.436 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.105 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 122.017 0.913 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 5' ' ' ARG . . . -165.06 84.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.039 0.923 . . . . 0.0 110.971 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -87.08 -37.39 17.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.043 0.925 . . . . 0.0 110.963 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.1 mtt -97.09 -20.87 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.215 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.537 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 2.2 mtm180 -78.06 -49.18 14.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.747 0.784 . . . . 0.0 110.649 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -62.25 -33.89 75.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.558 1.17 . . . . 0.0 110.145 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -74.27 -27.52 60.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.994 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.538 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -55.45 -38.48 69.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.287 1.041 . . . . 0.0 110.387 178.146 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 30.9 t -70.01 -33.15 71.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.404 1.097 . . . . 0.0 110.519 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.38 14.26 8.36 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.448 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.8 m -114.39 -37.97 4.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.59 -40.13 73.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.377 1.084 . . . . 0.0 110.244 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.6 -15.05 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.526 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HZ2' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.13 -24.87 59.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.042 0.925 . . . . 0.0 110.481 174.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.3 t -84.92 -35.22 9.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.725 0.774 . . . . 0.0 111.098 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -74.54 -29.7 61.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.903 0.859 . . . . 0.0 111.156 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.8 tt0 -72.77 -29.26 63.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.662 0.744 . . . . 0.0 111.487 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' HG3' ' HZ2' ' A' ' 14' ' ' LYS . 3.1 mmtp -72.2 -35.15 68.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.002 0.906 . . . . 0.0 110.965 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.27 2.169 0 CA-C-O 121.983 0.897 . . . . 0.0 110.981 179.593 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 122.001 0.905 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.094 ' HB1' ' HB2' ' A' ' 5' ' ' ARG . . . -174.92 94.69 0.07 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.046 0.927 . . . . 0.0 111.145 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -83.45 -40.82 18.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.212 1.006 . . . . 0.0 110.903 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.32 -15.38 21.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.49 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.094 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.2 mtm-85 -78.11 -48.79 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.829 0.823 . . . . 0.0 110.771 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.4 -33.59 75.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.565 1.174 . . . . 0.0 110.168 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -74.99 -26.14 59.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.709 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.77 -43.66 98.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.932 0.872 . . . . 0.0 110.946 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -67.93 -42.06 81.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.652 1.215 . . . . 0.0 110.464 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.6 15.96 2.36 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -111.11 -38.19 5.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.572 1.177 . . . . 0.0 109.995 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.75 -39.94 72.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.164 0.983 . . . . 0.0 110.08 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.58 -13.93 60.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.192 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.19 -22.76 57.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.842 0.83 . . . . 0.0 111.342 174.71 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -93.16 -30.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.959 1.361 . . . . 0.0 109.847 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.48 -37.64 77.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.561 1.172 . . . . 0.0 110.766 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.613 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -72.54 -34.98 67.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.959 0.885 . . . . 0.0 110.991 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--O 1.27 2.139 0 CA-C-O 122.039 0.923 . . . . 0.0 110.993 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.24 0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 5' ' ' ARG . . . 51.78 80.71 0.08 Allowed 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 122.048 0.928 . . . . 0.0 110.655 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -91.52 -38.01 12.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.185 0.993 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 mtp -91.43 -10.55 40.56 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -78.37 -49.8 12.9 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.563 -0.711 . . . . 0.0 110.958 178.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -62.24 -34.65 76.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.674 1.226 . . . . 0.0 109.983 177.58 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -72.51 -27.42 62.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.673 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -43.89 93.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.915 0.864 . . . . 0.0 111.135 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.2 t -67.95 -42.29 81.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.539 1.161 . . . . 0.0 110.515 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.12 15.67 2.26 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -110.85 -39.42 4.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.33 1.062 . . . . 0.0 110.181 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.77 -40.67 69.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.405 1.098 . . . . 0.0 110.309 178.35 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.1 mt-30 -75.83 -15.87 60.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.632 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -74.79 -23.7 58.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.767 0.794 . . . . 0.0 110.567 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -85.1 -34.8 9.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.81 0.814 . . . . 0.0 110.916 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 10.9 mtmt -72.83 -31.57 64.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.037 0.922 . . . . 0.0 110.929 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.38 -29.58 66.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.64 0.733 . . . . 0.0 111.386 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -42.66 58.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.004 0.907 . . . . 0.0 111.023 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.046 0.927 . . . . 0.0 111.071 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 120.645 0.26 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 68.14 69.75 0.32 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.061 0.934 . . . . 0.0 110.47 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -80.53 -41.41 24.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.216 1.008 . . . . 0.0 110.999 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 mtt -91.41 -19.53 22.77 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.27 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.59 15.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.755 0.788 . . . . 0.0 110.8 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.73 -33.37 75.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.531 1.157 . . . . 0.0 110.16 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -74.02 -28.74 61.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.585 0.707 . . . . 0.0 110.505 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -59.55 -42.97 93.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.122 0.963 . . . . 0.0 110.8 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.0 t -67.58 -43.19 81.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.553 1.168 . . . . 0.0 110.515 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -82.29 15.75 2.31 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -111.7 -38.03 5.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.48 1.133 . . . . 0.0 110.037 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.56 -39.17 77.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.605 1.193 . . . . 0.0 109.973 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.7 mt-30 -75.65 -18.17 59.75 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.149 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.11 -24.26 60.6 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.831 0.824 . . . . 0.0 110.688 174.703 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.24 -33.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.836 0.827 . . . . 0.0 111.254 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -31.39 65.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.892 0.853 . . . . 0.0 110.716 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.43 -28.11 65.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.651 0.738 . . . . 0.0 111.257 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -74.15 -41.86 60.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.005 0.907 . . . . 0.0 110.96 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.948 0.88 . . . . 0.0 111.014 179.001 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.239 0.519 0 CA-C-O 120.785 0.326 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.45 59.27 4.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.914 0.864 . . . . 0.0 110.975 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -80.08 -36.86 34.92 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.333 1.063 . . . . 0.0 110.803 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp -95.33 -12.86 25.39 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.685 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -52.17 9.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.716 0.77 . . . . 0.0 111.236 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.47 -33.28 73.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.619 1.2 . . . . 0.0 110.04 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -74.53 -26.9 60.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.782 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.33 -44.16 97.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.7 0.762 . . . . 0.0 111.152 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.6 t -68.1 -41.07 82.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.506 1.146 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.88 15.02 2.89 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.52 -38.53 4.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.478 1.132 . . . . 0.0 110.219 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -74.04 -38.54 63.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.059 0.933 . . . . 0.0 110.486 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 9' ' ' SER . 1.3 mt-30 -76.25 -17.48 59.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.208 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.11 -17.53 60.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.534 0.683 . . . . 0.0 111.462 175.114 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.05 -33.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 122.841 1.305 . . . . 0.0 109.898 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -64.28 -37.73 88.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.688 1.232 . . . . 0.0 110.436 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -29.05 69.83 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.105 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.934 0.873 . . . . 0.0 111.113 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--O 1.27 2.156 0 CA-C-O 122.004 0.907 . . . . 0.0 111.035 179.168 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 C--O 1.241 0.633 0 CA-C-O 121.193 0.52 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -78.06 -49.18 14.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.747 0.784 . . . . 0.0 110.649 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -62.25 -33.89 75.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.558 1.17 . . . . 0.0 110.145 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -74.27 -27.52 60.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.994 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.538 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -55.45 -38.48 69.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.287 1.041 . . . . 0.0 110.387 178.146 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 30.9 t -70.01 -33.15 71.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.404 1.097 . . . . 0.0 110.519 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.38 14.26 8.36 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.448 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.8 m -114.39 -37.97 4.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.59 -40.13 73.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.377 1.084 . . . . 0.0 110.244 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.6 -15.05 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.526 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.13 -24.87 59.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.042 0.925 . . . . 0.0 110.481 174.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.3 t -84.92 -35.22 9.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.725 0.774 . . . . 0.0 111.098 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -74.54 -29.7 61.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.903 0.859 . . . . 0.0 111.156 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.8 tt0 . . . . . 0 C--N 1.319 -0.752 0 CA-C-O 121.662 0.744 . . . . 0.0 111.487 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.713 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.11 -48.79 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.829 0.823 . . . . 0.0 110.771 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.4 -33.59 75.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.565 1.174 . . . . 0.0 110.168 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -74.99 -26.14 59.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.709 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.77 -43.66 98.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.932 0.872 . . . . 0.0 110.946 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -67.93 -42.06 81.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.652 1.215 . . . . 0.0 110.464 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.6 15.96 2.36 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -111.11 -38.19 5.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.572 1.177 . . . . 0.0 109.995 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.75 -39.94 72.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.164 0.983 . . . . 0.0 110.08 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.58 -13.93 60.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.192 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.19 -22.76 57.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.842 0.83 . . . . 0.0 111.342 174.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -93.16 -30.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.959 1.361 . . . . 0.0 109.847 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.48 -37.64 77.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.561 1.172 . . . . 0.0 110.766 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.613 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 mtp . . . . . 0 C--O 1.242 0.705 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -49.8 12.9 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.563 -0.711 . . . . 0.0 110.958 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -62.24 -34.65 76.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.674 1.226 . . . . 0.0 109.983 177.58 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -72.51 -27.42 62.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.673 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -43.89 93.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.915 0.864 . . . . 0.0 111.135 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.2 t -67.95 -42.29 81.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.539 1.161 . . . . 0.0 110.515 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.12 15.67 2.26 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -110.85 -39.42 4.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.33 1.062 . . . . 0.0 110.181 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.77 -40.67 69.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.405 1.098 . . . . 0.0 110.309 178.35 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.1 mt-30 -75.83 -15.87 60.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.632 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -74.79 -23.7 58.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.767 0.794 . . . . 0.0 110.567 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -85.1 -34.8 9.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.81 0.814 . . . . 0.0 110.916 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 10.9 mtmt -72.83 -31.57 64.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.037 0.922 . . . . 0.0 110.929 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 121.64 0.733 . . . . 0.0 111.386 178.385 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 mtt . . . . . 0 C--O 1.241 0.609 0 CA-C-O 121.178 0.513 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.59 15.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.755 0.788 . . . . 0.0 110.8 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.73 -33.37 75.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.531 1.157 . . . . 0.0 110.16 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -74.02 -28.74 61.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.585 0.707 . . . . 0.0 110.505 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -59.55 -42.97 93.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.122 0.963 . . . . 0.0 110.8 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.0 t -67.58 -43.19 81.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.553 1.168 . . . . 0.0 110.515 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -82.29 15.75 2.31 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -111.7 -38.03 5.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.48 1.133 . . . . 0.0 110.037 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.56 -39.17 77.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.605 1.193 . . . . 0.0 109.973 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.7 mt-30 -75.65 -18.17 59.75 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.149 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.11 -24.26 60.6 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.831 0.824 . . . . 0.0 110.688 174.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.24 -33.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.836 0.827 . . . . 0.0 111.254 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -31.39 65.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.892 0.853 . . . . 0.0 110.716 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.651 0.738 . . . . 0.0 111.257 177.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp . . . . . 0 C--O 1.242 0.707 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -52.17 9.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.716 0.77 . . . . 0.0 111.236 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.47 -33.28 73.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.619 1.2 . . . . 0.0 110.04 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -74.53 -26.9 60.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.782 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.33 -44.16 97.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.7 0.762 . . . . 0.0 111.152 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.6 t -68.1 -41.07 82.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.506 1.146 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.88 15.02 2.89 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.52 -38.53 4.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.478 1.132 . . . . 0.0 110.219 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -74.04 -38.54 63.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.059 0.933 . . . . 0.0 110.486 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 9' ' ' SER . 1.3 mt-30 -76.25 -17.48 59.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.208 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.11 -17.53 60.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.534 0.683 . . . . 0.0 111.462 175.114 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.05 -33.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 122.841 1.305 . . . . 0.0 109.898 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -64.28 -37.73 88.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.688 1.232 . . . . 0.0 110.436 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.105 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 122.017 0.913 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 5' ' ' ARG . . . -165.06 84.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.039 0.923 . . . . 0.0 110.971 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -87.08 -37.39 17.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.043 0.925 . . . . 0.0 110.963 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.1 mtt -97.09 -20.87 17.71 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.215 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.537 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 2.2 mtm180 -78.06 -49.18 14.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.747 0.784 . . . . 0.0 110.649 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -62.25 -33.89 75.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.558 1.17 . . . . 0.0 110.145 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -74.27 -27.52 60.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.994 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.538 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -55.45 -38.48 69.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.287 1.041 . . . . 0.0 110.387 178.146 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 30.9 t -70.01 -33.15 71.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.404 1.097 . . . . 0.0 110.519 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -87.38 14.26 8.36 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.448 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.8 m -114.39 -37.97 4.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.59 -40.13 73.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.377 1.084 . . . . 0.0 110.244 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -77.6 -15.05 59.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.526 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HZ2' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.13 -24.87 59.49 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.042 0.925 . . . . 0.0 110.481 174.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.3 t -84.92 -35.22 9.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.725 0.774 . . . . 0.0 111.098 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -74.54 -29.7 61.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.903 0.859 . . . . 0.0 111.156 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.8 tt0 -72.77 -29.26 63.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.662 0.744 . . . . 0.0 111.487 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.551 ' HG3' ' HZ2' ' A' ' 14' ' ' LYS . 3.1 mmtp -72.2 -35.15 68.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.002 0.906 . . . . 0.0 110.965 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.27 2.169 0 CA-C-O 121.983 0.897 . . . . 0.0 110.981 179.593 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 122.001 0.905 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.094 ' HB1' ' HB2' ' A' ' 5' ' ' ARG . . . -174.92 94.69 0.07 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.046 0.927 . . . . 0.0 111.145 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -83.45 -40.82 18.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.212 1.006 . . . . 0.0 110.903 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.32 -15.38 21.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.49 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.094 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.2 mtm-85 -78.11 -48.79 15.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.829 0.823 . . . . 0.0 110.771 177.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.4 -33.59 75.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.565 1.174 . . . . 0.0 110.168 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -74.99 -26.14 59.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.709 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.77 -43.66 98.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.932 0.872 . . . . 0.0 110.946 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -67.93 -42.06 81.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.652 1.215 . . . . 0.0 110.464 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.6 15.96 2.36 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -111.11 -38.19 5.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.572 1.177 . . . . 0.0 109.995 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.75 -39.94 72.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.164 0.983 . . . . 0.0 110.08 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -76.58 -13.93 60.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.192 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.19 -22.76 57.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.842 0.83 . . . . 0.0 111.342 174.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -93.16 -30.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 122.959 1.361 . . . . 0.0 109.847 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -69.48 -37.64 77.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.561 1.172 . . . . 0.0 110.766 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -25.28 62.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.613 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -72.54 -34.98 67.92 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.959 0.885 . . . . 0.0 110.991 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--O 1.27 2.139 0 CA-C-O 122.039 0.923 . . . . 0.0 110.993 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.24 0.56 0 CA-C-O 120.789 0.328 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 5' ' ' ARG . . . 51.78 80.71 0.08 Allowed 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 122.048 0.928 . . . . 0.0 110.655 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -91.52 -38.01 12.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.185 0.993 . . . . 0.0 111.059 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 mtp -91.43 -10.55 40.56 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -78.37 -49.8 12.9 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.563 -0.711 . . . . 0.0 110.958 178.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -62.24 -34.65 76.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.674 1.226 . . . . 0.0 109.983 177.58 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -72.51 -27.42 62.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.673 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -43.89 93.65 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.915 0.864 . . . . 0.0 111.135 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.2 t -67.95 -42.29 81.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.539 1.161 . . . . 0.0 110.515 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.12 15.67 2.26 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -110.85 -39.42 4.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.33 1.062 . . . . 0.0 110.181 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HD1' ' O ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -71.77 -40.67 69.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.405 1.098 . . . . 0.0 110.309 178.35 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.1 mt-30 -75.83 -15.87 60.17 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.632 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -74.79 -23.7 58.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.767 0.794 . . . . 0.0 110.567 174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -85.1 -34.8 9.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.81 0.814 . . . . 0.0 110.916 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 10.9 mtmt -72.83 -31.57 64.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.037 0.922 . . . . 0.0 110.929 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.38 -29.58 66.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.64 0.733 . . . . 0.0 111.386 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -42.66 58.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.004 0.907 . . . . 0.0 111.023 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.046 0.927 . . . . 0.0 111.071 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.559 0 CA-C-O 120.645 0.26 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 1' ' ' SER . . . 68.14 69.75 0.32 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.061 0.934 . . . . 0.0 110.47 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -80.53 -41.41 24.23 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.216 1.008 . . . . 0.0 110.999 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.5 mtt -91.41 -19.53 22.77 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.27 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.59 15.18 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.755 0.788 . . . . 0.0 110.8 177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.73 -33.37 75.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.531 1.157 . . . . 0.0 110.16 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -74.02 -28.74 61.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.585 0.707 . . . . 0.0 110.505 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -59.55 -42.97 93.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.122 0.963 . . . . 0.0 110.8 178.162 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.0 t -67.58 -43.19 81.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.553 1.168 . . . . 0.0 110.515 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -82.29 15.75 2.31 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -111.7 -38.03 5.0 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.48 1.133 . . . . 0.0 110.037 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -69.56 -39.17 77.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.605 1.193 . . . . 0.0 109.973 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 9' ' ' SER . 3.7 mt-30 -75.65 -18.17 59.75 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.149 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.11 -24.26 60.6 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.831 0.824 . . . . 0.0 110.688 174.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -87.24 -33.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.836 0.827 . . . . 0.0 111.254 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.5 -31.39 65.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.892 0.853 . . . . 0.0 110.716 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.43 -28.11 65.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.651 0.738 . . . . 0.0 111.257 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -74.15 -41.86 60.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.005 0.907 . . . . 0.0 110.96 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.948 0.88 . . . . 0.0 111.014 179.001 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.239 0.519 0 CA-C-O 120.785 0.326 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.45 59.27 4.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.914 0.864 . . . . 0.0 110.975 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -80.08 -36.86 34.92 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.333 1.063 . . . . 0.0 110.803 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 33.9 mtp -95.33 -12.86 25.39 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.685 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -52.17 9.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.716 0.77 . . . . 0.0 111.236 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.47 -33.28 73.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.619 1.2 . . . . 0.0 110.04 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -74.53 -26.9 60.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.782 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.33 -44.16 97.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.7 0.762 . . . . 0.0 111.152 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 23.6 t -68.1 -41.07 82.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.506 1.146 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.88 15.02 2.89 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.52 -38.53 4.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.478 1.132 . . . . 0.0 110.219 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -74.04 -38.54 63.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.059 0.933 . . . . 0.0 110.486 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 9' ' ' SER . 1.3 mt-30 -76.25 -17.48 59.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.208 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.11 -17.53 60.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.534 0.683 . . . . 0.0 111.462 175.114 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.05 -33.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 122.841 1.305 . . . . 0.0 109.898 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -64.28 -37.73 88.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.688 1.232 . . . . 0.0 110.436 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.19 -29.05 69.83 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.105 178.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.934 0.873 . . . . 0.0 111.113 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--O 1.27 2.156 0 CA-C-O 122.004 0.907 . . . . 0.0 111.035 179.168 . . . . . . . . 0 0 . 1 stop_ save_