data_1odr_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 1odr _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 ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.244 1.021 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 -53.2 0.08 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.37 1.081 . . . . 0.0 110.596 -174.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.88 -26.84 31.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -57.97 -37.75 74.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.925 0.869 . . . . 0.0 111.139 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -37.95 89.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.988 0.899 . . . . 0.0 111.095 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.86 -42.66 89.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.262 1.029 . . . . 0.0 110.854 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.106 0.955 . . . . 0.0 110.904 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.74 68.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.853 0.835 . . . . 0.0 111.112 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.32 82.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.952 0.882 . . . . 0.0 111.063 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.59 -38.42 84.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.124 0.964 . . . . 0.0 110.955 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.69 -26.44 62.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.355 0.598 . . . . 0.0 112.006 -175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -48.53 77.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.13 0.966 . . . . 0.0 111.221 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.23 94.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.141 0.972 . . . . 0.0 110.996 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.75 -23.1 63.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.395 0.617 . . . . 0.0 112.276 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.75 0 O-C-N 121.504 -0.748 . . . . 0.0 112.965 -174.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 122.052 0.93 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.49 -46.68 5.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.068 0.937 . . . . 0.0 110.969 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.05 -30.08 68.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.82 0.819 . . . . 0.0 111.331 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -64.05 -40.25 95.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.945 0.879 . . . . 0.0 111.079 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -43.71 92.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.989 0.899 . . . . 0.0 111.192 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -63.53 -32.2 73.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.837 0.827 . . . . 0.0 111.188 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -41.8 90.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.018 0.913 . . . . 0.0 111.025 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.92 74.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.855 0.836 . . . . 0.0 111.04 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.19 77.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.989 0.9 . . . . 0.0 110.972 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.585 ' O ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.84 -47.09 66.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.138 0.971 . . . . 0.0 110.942 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' HA ' HD11 ' A' ' 16' ' ' LEU . 8.9 mt -78.15 -0.32 27.85 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -50.27 65.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.964 0.888 . . . . 0.0 111.281 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.48 7.14 15.15 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' ' 12' ' ' ARG . 1.1 mt -105.23 -39.17 6.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.159 0.981 . . . . 0.0 110.912 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.17 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 122.564 1.174 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -95.22 -32.95 12.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.886 0.85 . . . . 0.0 110.944 174.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -20.21 16.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.373 0.606 . . . . 0.0 112.01 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -66.26 -40.9 90.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.06 0.933 . . . . 0.0 110.981 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.46 -37.49 83.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.963 0.887 . . . . 0.0 111.024 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -67.54 -22.57 65.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.466 0.65 . . . . 0.0 111.921 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -38.79 49.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.028 0.918 . . . . 0.0 111.094 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.16 72.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.703 0.764 . . . . 0.0 111.348 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.79 73.4 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.925 0.869 . . . . 0.0 111.174 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -41.01 97.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.141 0.972 . . . . 0.0 110.973 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 13' ' ' LEU . 11.8 mt -73.2 -16.94 61.41 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.476 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.91 23.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.036 0.922 . . . . 0.0 111.046 175.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.74 81.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.944 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.15 -34.63 78.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.01 0.909 . . . . 0.0 111.169 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 121.819 0.819 . . . . 0.0 111.664 -174.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.107 0.956 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.42 -36.68 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.027 0.918 . . . . 0.0 111.007 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.23 -31.82 15.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.817 0.818 . . . . 0.0 111.115 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -43.02 99.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.968 0.889 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -65.56 -39.66 91.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.01 0.909 . . . . 0.0 111.022 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 23.1 mtp85 -60.73 -34.88 75.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.919 0.866 . . . . 0.0 111.065 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -40.05 95.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.158 0.98 . . . . 0.0 110.996 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.96 68.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.6 0.714 . . . . 0.0 111.594 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -63.83 -58.41 6.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.947 0.879 . . . . 0.0 111.005 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -37.0 70.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.057 0.932 . . . . 0.0 110.991 -176.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.73 -34.8 76.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.959 0.885 . . . . 0.0 111.089 -177.535 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.44 -39.06 91.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.984 0.897 . . . . 0.0 111.146 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.28 68.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.884 0.849 . . . . 0.0 111.327 -174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.87 -35.95 57.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.11 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tptt . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.857 0.837 . . . . 0.0 111.53 -175.028 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.835 0.826 . . . . 0.0 111.543 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -41.8 10.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.806 0.813 . . . . 0.0 111.637 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.45 -27.19 60.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.638 0.732 . . . . 0.0 111.812 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.3 ttp85 -68.15 -39.1 82.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.094 0.949 . . . . 0.0 110.95 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.43 81.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.909 0.861 . . . . 0.0 111.115 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -66.5 -30.61 70.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.764 0.792 . . . . 0.0 111.274 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.94 81.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 111.061 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.97 71.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.584 0.707 . . . . 0.0 111.675 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.88 72.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.836 0.827 . . . . 0.0 111.087 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.13 93.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.192 0.996 . . . . 0.0 110.947 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.38 -19.97 60.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.351 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.03 -43.37 78.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.046 0.927 . . . . 0.0 111.217 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.84 91.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.968 0.889 . . . . 0.0 111.142 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.0 -32.75 30.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.792 0.806 . . . . 0.0 111.768 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tptt . . . . . 0 C--O 1.244 0.782 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.512 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.887 0.851 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -174.33 47.78 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.988 0.899 . . . . 0.0 111.297 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.45 22.79 0.92 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.244 1.021 . . . . 0.0 112.027 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 -53.2 0.08 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.37 1.081 . . . . 0.0 110.596 -174.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.88 -26.84 31.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -57.97 -37.75 74.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.925 0.869 . . . . 0.0 111.139 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -37.95 89.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.988 0.899 . . . . 0.0 111.095 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.86 -42.66 89.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.262 1.029 . . . . 0.0 110.854 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.106 0.955 . . . . 0.0 110.904 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.74 68.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.853 0.835 . . . . 0.0 111.112 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.32 82.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.952 0.882 . . . . 0.0 111.063 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.59 -38.42 84.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.124 0.964 . . . . 0.0 110.955 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.69 -26.44 62.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.355 0.598 . . . . 0.0 112.006 -175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -48.53 77.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.13 0.966 . . . . 0.0 111.221 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.23 94.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.141 0.972 . . . . 0.0 110.996 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.75 -23.1 63.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.395 0.617 . . . . 0.0 112.276 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 19.61 4.34 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.504 -0.748 . . . . 0.0 112.965 -174.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.62 51.24 1.52 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.974 0.892 . . . . 0.0 111.278 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -153.37 -44.88 0.09 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.989 0.899 . . . . 0.0 110.986 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.423 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -178.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.797 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.922 0.868 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 54.65 34.96 22.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.008 0.909 . . . . 0.0 110.98 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -172.14 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.052 0.93 . . . . 0.0 111.187 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.49 -46.68 5.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.068 0.937 . . . . 0.0 110.969 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.797 HD11 ' HA ' ' A' ' 1' ' ' TYR . 9.2 mt -69.05 -30.08 68.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.82 0.819 . . . . 0.0 111.331 -174.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -64.05 -40.25 95.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.945 0.879 . . . . 0.0 111.079 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -43.71 92.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.989 0.899 . . . . 0.0 111.192 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -63.53 -32.2 73.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.837 0.827 . . . . 0.0 111.188 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -41.8 90.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.018 0.913 . . . . 0.0 111.025 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.92 74.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.855 0.836 . . . . 0.0 111.04 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.19 77.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.989 0.9 . . . . 0.0 110.972 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.585 ' O ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.84 -47.09 66.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.138 0.971 . . . . 0.0 110.942 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' HA ' HD11 ' A' ' 16' ' ' LEU . 8.9 mt -78.15 -0.32 27.85 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -50.27 65.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.964 0.888 . . . . 0.0 111.281 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.48 7.14 15.15 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' ' 12' ' ' ARG . 1.1 mt -105.23 -39.17 6.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.159 0.981 . . . . 0.0 110.912 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -22.2 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.17 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.11 102.2 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.031 0.92 . . . . 0.0 110.938 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 176.09 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.975 0.893 . . . . 0.0 111.107 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.371 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 175.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.51 -0.576 0 CA-C-O 121.896 0.855 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -146.18 78.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.055 0.931 . . . . 0.0 110.976 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.49 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.564 1.174 . . . . 0.0 110.842 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -95.22 -32.95 12.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.886 0.85 . . . . 0.0 110.944 174.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -20.21 16.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.373 0.606 . . . . 0.0 112.01 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -66.26 -40.9 90.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.06 0.933 . . . . 0.0 110.981 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.46 -37.49 83.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.963 0.887 . . . . 0.0 111.024 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -67.54 -22.57 65.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.466 0.65 . . . . 0.0 111.921 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -38.79 49.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.028 0.918 . . . . 0.0 111.094 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.16 72.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.703 0.764 . . . . 0.0 111.348 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.79 73.4 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.925 0.869 . . . . 0.0 111.174 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -41.01 97.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.141 0.972 . . . . 0.0 110.973 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 13' ' ' LEU . 11.8 mt -73.2 -16.94 61.41 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.476 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.91 23.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.036 0.922 . . . . 0.0 111.046 175.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.74 81.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.944 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.15 -34.63 78.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.01 0.909 . . . . 0.0 111.169 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -102.25 31.59 3.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.819 0.819 . . . . 0.0 111.664 -174.781 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 82.32 2.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.964 0.887 . . . . 0.0 111.074 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.24 -55.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.986 0.898 . . . . 0.0 111.075 -176.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.366 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -178.418 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 5' ' ' LEU . 10.5 t80 . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.072 0.939 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -132.74 58.75 1.75 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.029 0.919 . . . . 0.0 111.058 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -179.46 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.107 0.956 . . . . 0.0 111.264 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.42 -36.68 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.027 0.918 . . . . 0.0 111.007 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 1' ' ' TYR . 15.4 mt -92.23 -31.82 15.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.817 0.818 . . . . 0.0 111.115 -175.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -43.02 99.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.968 0.889 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -65.56 -39.66 91.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.01 0.909 . . . . 0.0 111.022 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 23.1 mtp85 -60.73 -34.88 75.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.919 0.866 . . . . 0.0 111.065 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -40.05 95.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.158 0.98 . . . . 0.0 110.996 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.96 68.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.6 0.714 . . . . 0.0 111.594 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -63.83 -58.41 6.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.947 0.879 . . . . 0.0 111.005 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -37.0 70.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.057 0.932 . . . . 0.0 110.991 -176.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.73 -34.8 76.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.959 0.885 . . . . 0.0 111.089 -177.535 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.44 -39.06 91.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.984 0.897 . . . . 0.0 111.146 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.28 68.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.884 0.849 . . . . 0.0 111.327 -174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.87 -35.95 57.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.11 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -96.95 31.24 2.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.857 0.837 . . . . 0.0 111.53 -175.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -97.12 38.16 1.27 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.874 0.845 . . . . 0.0 111.187 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -170.5 -69.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.048 0.928 . . . . 0.0 111.116 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.348 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.651 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.565 ' N ' ' HD1' ' A' ' 1' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 122.132 0.968 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.59 66.0 0.12 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.031 0.92 . . . . 0.0 110.9 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.08 -35.75 10.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.835 0.826 . . . . 0.0 111.543 -174.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -41.8 10.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.806 0.813 . . . . 0.0 111.637 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.45 -27.19 60.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.638 0.732 . . . . 0.0 111.812 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.3 ttp85 -68.15 -39.1 82.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.094 0.949 . . . . 0.0 110.95 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.43 81.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.909 0.861 . . . . 0.0 111.115 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -66.5 -30.61 70.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.764 0.792 . . . . 0.0 111.274 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.94 81.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 111.061 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.97 71.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.584 0.707 . . . . 0.0 111.675 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.88 72.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.836 0.827 . . . . 0.0 111.087 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.13 93.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.192 0.996 . . . . 0.0 110.947 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -73.38 -19.97 60.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.351 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.03 -43.37 78.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.046 0.927 . . . . 0.0 111.217 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.84 91.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.968 0.889 . . . . 0.0 111.142 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.0 -32.75 30.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.792 0.806 . . . . 0.0 111.768 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -68.6 -12.16 60.96 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -86.82 85.86 7.3 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.193 -0.942 . . . . 0.0 110.988 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -169.76 -54.76 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.992 0.901 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.433 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.471 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.244 1.021 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 -53.2 0.08 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.37 1.081 . . . . 0.0 110.596 -174.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.88 -26.84 31.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -57.97 -37.75 74.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.925 0.869 . . . . 0.0 111.139 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -37.95 89.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.988 0.899 . . . . 0.0 111.095 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.466 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.86 -42.66 89.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.262 1.029 . . . . 0.0 110.854 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.106 0.955 . . . . 0.0 110.904 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.74 68.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.853 0.835 . . . . 0.0 111.112 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.32 82.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.952 0.882 . . . . 0.0 111.063 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.59 -38.42 84.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.124 0.964 . . . . 0.0 110.955 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.69 -26.44 62.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.355 0.598 . . . . 0.0 112.006 -175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -48.53 77.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.13 0.966 . . . . 0.0 111.221 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.23 94.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.141 0.972 . . . . 0.0 110.996 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.75 -23.1 63.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.395 0.617 . . . . 0.0 112.276 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.75 0 O-C-N 121.504 -0.748 . . . . 0.0 112.965 -174.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 122.052 0.93 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.49 -46.68 5.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.068 0.937 . . . . 0.0 110.969 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.05 -30.08 68.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.82 0.819 . . . . 0.0 111.331 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -64.05 -40.25 95.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.945 0.879 . . . . 0.0 111.079 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -43.71 92.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.989 0.899 . . . . 0.0 111.192 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -63.53 -32.2 73.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.837 0.827 . . . . 0.0 111.188 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -41.8 90.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.018 0.913 . . . . 0.0 111.025 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.92 74.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.855 0.836 . . . . 0.0 111.04 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.19 77.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.989 0.9 . . . . 0.0 110.972 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.84 -47.09 66.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.138 0.971 . . . . 0.0 110.942 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.15 -0.32 27.85 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -50.27 65.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.964 0.888 . . . . 0.0 111.281 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.48 7.14 15.15 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.1 mt -105.23 -39.17 6.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.159 0.981 . . . . 0.0 110.912 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.17 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 122.564 1.174 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -95.22 -32.95 12.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.886 0.85 . . . . 0.0 110.944 174.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -20.21 16.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.373 0.606 . . . . 0.0 112.01 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -66.26 -40.9 90.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.06 0.933 . . . . 0.0 110.981 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.46 -37.49 83.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.963 0.887 . . . . 0.0 111.024 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -67.54 -22.57 65.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.466 0.65 . . . . 0.0 111.921 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -38.79 49.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.028 0.918 . . . . 0.0 111.094 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.16 72.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.703 0.764 . . . . 0.0 111.348 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.79 73.4 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.925 0.869 . . . . 0.0 111.174 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -41.01 97.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.141 0.972 . . . . 0.0 110.973 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.2 -16.94 61.41 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.476 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.91 23.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.036 0.922 . . . . 0.0 111.046 175.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.74 81.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.944 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.15 -34.63 78.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.01 0.909 . . . . 0.0 111.169 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 121.819 0.819 . . . . 0.0 111.664 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.107 0.956 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.42 -36.68 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.027 0.918 . . . . 0.0 111.007 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.23 -31.82 15.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.817 0.818 . . . . 0.0 111.115 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -43.02 99.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.968 0.889 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -65.56 -39.66 91.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.01 0.909 . . . . 0.0 111.022 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 23.1 mtp85 -60.73 -34.88 75.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.919 0.866 . . . . 0.0 111.065 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -40.05 95.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.158 0.98 . . . . 0.0 110.996 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.96 68.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.6 0.714 . . . . 0.0 111.594 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 8' ' ' ARG . . . -63.83 -58.41 6.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.947 0.879 . . . . 0.0 111.005 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -37.0 70.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.057 0.932 . . . . 0.0 110.991 -176.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.73 -34.8 76.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.959 0.885 . . . . 0.0 111.089 -177.535 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.44 -39.06 91.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.984 0.897 . . . . 0.0 111.146 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.28 68.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.884 0.849 . . . . 0.0 111.327 -174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.87 -35.95 57.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.11 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tptt . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.857 0.837 . . . . 0.0 111.53 -175.028 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.835 0.826 . . . . 0.0 111.543 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -41.8 10.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.806 0.813 . . . . 0.0 111.637 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.45 -27.19 60.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.638 0.732 . . . . 0.0 111.812 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.3 ttp85 -68.15 -39.1 82.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.094 0.949 . . . . 0.0 110.95 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.96 -35.43 81.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.909 0.861 . . . . 0.0 111.115 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -66.5 -30.61 70.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.764 0.792 . . . . 0.0 111.274 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.27 -40.94 81.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 111.061 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.97 71.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.584 0.707 . . . . 0.0 111.675 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.88 72.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.836 0.827 . . . . 0.0 111.087 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.13 93.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.192 0.996 . . . . 0.0 110.947 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 9' ' ' LEU . 5.3 mt -73.38 -19.97 60.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.351 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.03 -43.37 78.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.046 0.927 . . . . 0.0 111.217 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.84 91.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.968 0.889 . . . . 0.0 111.142 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.0 -32.75 30.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.792 0.806 . . . . 0.0 111.768 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tptt . . . . . 0 C--O 1.244 0.782 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.512 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.887 0.851 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -174.33 47.78 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.988 0.899 . . . . 0.0 111.297 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.45 22.79 0.92 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.244 1.021 . . . . 0.0 112.027 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 -53.2 0.08 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.37 1.081 . . . . 0.0 110.596 -174.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.88 -26.84 31.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -57.97 -37.75 74.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.925 0.869 . . . . 0.0 111.139 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -37.95 89.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.988 0.899 . . . . 0.0 111.095 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.466 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.86 -42.66 89.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.262 1.029 . . . . 0.0 110.854 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.106 0.955 . . . . 0.0 110.904 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.74 68.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.853 0.835 . . . . 0.0 111.112 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.32 82.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.952 0.882 . . . . 0.0 111.063 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.59 -38.42 84.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.124 0.964 . . . . 0.0 110.955 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.69 -26.44 62.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.355 0.598 . . . . 0.0 112.006 -175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -48.53 77.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.13 0.966 . . . . 0.0 111.221 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.23 94.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.141 0.972 . . . . 0.0 110.996 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.75 -23.1 63.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.395 0.617 . . . . 0.0 112.276 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 19.61 4.34 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.504 -0.748 . . . . 0.0 112.965 -174.281 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.62 51.24 1.52 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.974 0.892 . . . . 0.0 111.278 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -153.37 -44.88 0.09 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.989 0.899 . . . . 0.0 110.986 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.423 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -178.842 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.922 0.868 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 54.65 34.96 22.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.008 0.909 . . . . 0.0 110.98 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -172.14 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.052 0.93 . . . . 0.0 111.187 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.49 -46.68 5.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.068 0.937 . . . . 0.0 110.969 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 1' ' ' TYR . 9.2 mt -69.05 -30.08 68.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.82 0.819 . . . . 0.0 111.331 -174.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -64.05 -40.25 95.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.945 0.879 . . . . 0.0 111.079 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -43.71 92.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.989 0.899 . . . . 0.0 111.192 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -63.53 -32.2 73.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.837 0.827 . . . . 0.0 111.188 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -41.8 90.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.018 0.913 . . . . 0.0 111.025 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.92 74.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.855 0.836 . . . . 0.0 111.04 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.19 77.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.989 0.9 . . . . 0.0 110.972 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.84 -47.09 66.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.138 0.971 . . . . 0.0 110.942 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.15 -0.32 27.85 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -50.27 65.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.964 0.888 . . . . 0.0 111.281 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.48 7.14 15.15 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.1 mt -105.23 -39.17 6.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.159 0.981 . . . . 0.0 110.912 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -22.2 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.17 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.11 102.2 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.031 0.92 . . . . 0.0 110.938 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 176.09 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.975 0.893 . . . . 0.0 111.107 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.371 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 175.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.51 -0.576 0 CA-C-O 121.896 0.855 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -146.18 78.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.055 0.931 . . . . 0.0 110.976 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.49 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.564 1.174 . . . . 0.0 110.842 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -95.22 -32.95 12.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.886 0.85 . . . . 0.0 110.944 174.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -20.21 16.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.373 0.606 . . . . 0.0 112.01 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -66.26 -40.9 90.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.06 0.933 . . . . 0.0 110.981 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.46 -37.49 83.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.963 0.887 . . . . 0.0 111.024 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -67.54 -22.57 65.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.466 0.65 . . . . 0.0 111.921 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -38.79 49.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.028 0.918 . . . . 0.0 111.094 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.16 72.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.703 0.764 . . . . 0.0 111.348 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.79 73.4 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.925 0.869 . . . . 0.0 111.174 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -41.01 97.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.141 0.972 . . . . 0.0 110.973 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.2 -16.94 61.41 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.476 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.91 23.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.036 0.922 . . . . 0.0 111.046 175.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.74 81.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.944 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.15 -34.63 78.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.01 0.909 . . . . 0.0 111.169 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.25 31.59 3.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.819 0.819 . . . . 0.0 111.664 -174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 82.32 2.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.964 0.887 . . . . 0.0 111.074 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.24 -55.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.986 0.898 . . . . 0.0 111.075 -176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.366 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -178.418 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 5' ' ' LEU . 10.5 t80 . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.072 0.939 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -132.74 58.75 1.75 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.029 0.919 . . . . 0.0 111.058 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -179.46 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.107 0.956 . . . . 0.0 111.264 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.42 -36.68 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.027 0.918 . . . . 0.0 111.007 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 1' ' ' TYR . 15.4 mt -92.23 -31.82 15.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.817 0.818 . . . . 0.0 111.115 -175.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -43.02 99.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.968 0.889 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -65.56 -39.66 91.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.01 0.909 . . . . 0.0 111.022 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 23.1 mtp85 -60.73 -34.88 75.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.919 0.866 . . . . 0.0 111.065 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -40.05 95.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.158 0.98 . . . . 0.0 110.996 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.96 68.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.6 0.714 . . . . 0.0 111.594 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 8' ' ' ARG . . . -63.83 -58.41 6.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.947 0.879 . . . . 0.0 111.005 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -37.0 70.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.057 0.932 . . . . 0.0 110.991 -176.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.73 -34.8 76.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.959 0.885 . . . . 0.0 111.089 -177.535 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.44 -39.06 91.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.984 0.897 . . . . 0.0 111.146 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.28 68.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.884 0.849 . . . . 0.0 111.327 -174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.87 -35.95 57.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.11 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -96.95 31.24 2.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.857 0.837 . . . . 0.0 111.53 -175.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -97.12 38.16 1.27 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.874 0.845 . . . . 0.0 111.187 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -170.5 -69.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.048 0.928 . . . . 0.0 111.116 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.348 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.651 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.569 ' HD1' ' N ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 122.132 0.968 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.59 66.0 0.12 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.031 0.92 . . . . 0.0 110.9 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.08 -35.75 10.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.835 0.826 . . . . 0.0 111.543 -174.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -41.8 10.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.806 0.813 . . . . 0.0 111.637 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.45 -27.19 60.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.638 0.732 . . . . 0.0 111.812 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.3 ttp85 -68.15 -39.1 82.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.094 0.949 . . . . 0.0 110.95 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.96 -35.43 81.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.909 0.861 . . . . 0.0 111.115 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -66.5 -30.61 70.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.764 0.792 . . . . 0.0 111.274 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.27 -40.94 81.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 111.061 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.97 71.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.584 0.707 . . . . 0.0 111.675 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.88 72.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.836 0.827 . . . . 0.0 111.087 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.13 93.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.192 0.996 . . . . 0.0 110.947 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 9' ' ' LEU . 5.3 mt -73.38 -19.97 60.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.351 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.03 -43.37 78.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.046 0.927 . . . . 0.0 111.217 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.84 91.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.968 0.889 . . . . 0.0 111.142 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.0 -32.75 30.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.792 0.806 . . . . 0.0 111.768 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -68.6 -12.16 60.96 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -86.82 85.86 7.3 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.193 -0.942 . . . . 0.0 110.988 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -169.76 -54.76 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.992 0.901 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.433 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.471 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 122.244 1.021 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 -53.2 0.08 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.37 1.081 . . . . 0.0 110.596 -174.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.88 -26.84 31.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -57.97 -37.75 74.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.925 0.869 . . . . 0.0 111.139 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -37.95 89.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.988 0.899 . . . . 0.0 111.095 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.466 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.86 -42.66 89.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.262 1.029 . . . . 0.0 110.854 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.106 0.955 . . . . 0.0 110.904 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.74 68.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.853 0.835 . . . . 0.0 111.112 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.32 82.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.952 0.882 . . . . 0.0 111.063 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.59 -38.42 84.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.124 0.964 . . . . 0.0 110.955 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.69 -26.44 62.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.355 0.598 . . . . 0.0 112.006 -175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -48.53 77.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.13 0.966 . . . . 0.0 111.221 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.23 94.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.141 0.972 . . . . 0.0 110.996 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.75 -23.1 63.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.395 0.617 . . . . 0.0 112.276 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.75 0 O-C-N 121.504 -0.748 . . . . 0.0 112.965 -174.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 122.052 0.93 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.49 -46.68 5.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.068 0.937 . . . . 0.0 110.969 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.05 -30.08 68.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.82 0.819 . . . . 0.0 111.331 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -64.05 -40.25 95.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.945 0.879 . . . . 0.0 111.079 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -43.71 92.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.989 0.899 . . . . 0.0 111.192 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -63.53 -32.2 73.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.837 0.827 . . . . 0.0 111.188 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -41.8 90.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.018 0.913 . . . . 0.0 111.025 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.92 74.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.855 0.836 . . . . 0.0 111.04 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.19 77.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.989 0.9 . . . . 0.0 110.972 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.84 -47.09 66.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.138 0.971 . . . . 0.0 110.942 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.15 -0.32 27.85 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -50.27 65.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.964 0.888 . . . . 0.0 111.281 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.48 7.14 15.15 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.1 mt -105.23 -39.17 6.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.159 0.981 . . . . 0.0 110.912 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.17 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 122.564 1.174 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -95.22 -32.95 12.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.886 0.85 . . . . 0.0 110.944 174.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -20.21 16.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.373 0.606 . . . . 0.0 112.01 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -66.26 -40.9 90.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.06 0.933 . . . . 0.0 110.981 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.46 -37.49 83.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.963 0.887 . . . . 0.0 111.024 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -67.54 -22.57 65.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.466 0.65 . . . . 0.0 111.921 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -38.79 49.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.028 0.918 . . . . 0.0 111.094 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.16 72.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.703 0.764 . . . . 0.0 111.348 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.79 73.4 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.925 0.869 . . . . 0.0 111.174 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -41.01 97.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.141 0.972 . . . . 0.0 110.973 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.2 -16.94 61.41 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.476 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.91 23.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.036 0.922 . . . . 0.0 111.046 175.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.74 81.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.944 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.15 -34.63 78.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.01 0.909 . . . . 0.0 111.169 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 121.819 0.819 . . . . 0.0 111.664 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.107 0.956 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.42 -36.68 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.027 0.918 . . . . 0.0 111.007 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.23 -31.82 15.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.817 0.818 . . . . 0.0 111.115 -175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -43.02 99.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.968 0.889 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -65.56 -39.66 91.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.01 0.909 . . . . 0.0 111.022 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 23.1 mtp85 -60.73 -34.88 75.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.919 0.866 . . . . 0.0 111.065 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -40.05 95.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.158 0.98 . . . . 0.0 110.996 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.96 68.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.6 0.714 . . . . 0.0 111.594 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 8' ' ' ARG . . . -63.83 -58.41 6.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.947 0.879 . . . . 0.0 111.005 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -37.0 70.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.057 0.932 . . . . 0.0 110.991 -176.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.73 -34.8 76.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.959 0.885 . . . . 0.0 111.089 -177.535 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.44 -39.06 91.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.984 0.897 . . . . 0.0 111.146 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.28 68.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.884 0.849 . . . . 0.0 111.327 -174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.87 -35.95 57.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.11 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tptt . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.857 0.837 . . . . 0.0 111.53 -175.028 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.835 0.826 . . . . 0.0 111.543 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -41.8 10.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.806 0.813 . . . . 0.0 111.637 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.45 -27.19 60.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.638 0.732 . . . . 0.0 111.812 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.3 ttp85 -68.15 -39.1 82.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.094 0.949 . . . . 0.0 110.95 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.43 81.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.909 0.861 . . . . 0.0 111.115 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -66.5 -30.61 70.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.764 0.792 . . . . 0.0 111.274 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.27 -40.94 81.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 111.061 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.97 71.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.584 0.707 . . . . 0.0 111.675 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.88 72.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.836 0.827 . . . . 0.0 111.087 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.13 93.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.192 0.996 . . . . 0.0 110.947 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 9' ' ' LEU . 5.3 mt -73.38 -19.97 60.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.351 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.03 -43.37 78.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.046 0.927 . . . . 0.0 111.217 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.84 91.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.968 0.889 . . . . 0.0 111.142 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.0 -32.75 30.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.792 0.806 . . . . 0.0 111.768 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tptt . . . . . 0 C--O 1.244 0.782 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.512 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.887 0.851 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -174.33 47.78 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.988 0.899 . . . . 0.0 111.297 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.45 22.79 0.92 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.244 1.021 . . . . 0.0 112.027 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.69 -53.2 0.08 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.37 1.081 . . . . 0.0 110.596 -174.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.88 -26.84 31.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -57.97 -37.75 74.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.925 0.869 . . . . 0.0 111.139 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.33 -37.95 89.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.988 0.899 . . . . 0.0 111.095 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.466 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.86 -42.66 89.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.262 1.029 . . . . 0.0 110.854 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.36 98.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.106 0.955 . . . . 0.0 110.904 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.74 68.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.853 0.835 . . . . 0.0 111.112 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.32 82.47 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.952 0.882 . . . . 0.0 111.063 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.59 -38.42 84.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.124 0.964 . . . . 0.0 110.955 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.69 -26.44 62.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.355 0.598 . . . . 0.0 112.006 -175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -48.53 77.59 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.13 0.966 . . . . 0.0 111.221 -175.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.23 94.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.141 0.972 . . . . 0.0 110.996 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.75 -23.1 63.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.395 0.617 . . . . 0.0 112.276 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 19.61 4.34 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.504 -0.748 . . . . 0.0 112.965 -174.281 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -123.62 51.24 1.52 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.974 0.892 . . . . 0.0 111.278 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -153.37 -44.88 0.09 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.989 0.899 . . . . 0.0 110.986 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.423 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -178.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.922 0.868 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 54.65 34.96 22.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.008 0.909 . . . . 0.0 110.98 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -172.14 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.052 0.93 . . . . 0.0 111.187 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -97.49 -46.68 5.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.068 0.937 . . . . 0.0 110.969 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 1' ' ' TYR . 9.2 mt -69.05 -30.08 68.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.82 0.819 . . . . 0.0 111.331 -174.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -64.05 -40.25 95.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.945 0.879 . . . . 0.0 111.079 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -43.71 92.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.989 0.899 . . . . 0.0 111.192 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -63.53 -32.2 73.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.837 0.827 . . . . 0.0 111.188 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -41.8 90.78 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.018 0.913 . . . . 0.0 111.025 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.92 74.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.855 0.836 . . . . 0.0 111.04 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.19 77.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.989 0.9 . . . . 0.0 110.972 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.84 -47.09 66.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.138 0.971 . . . . 0.0 110.942 178.023 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.15 -0.32 27.85 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -50.27 65.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.964 0.888 . . . . 0.0 111.281 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.48 7.14 15.15 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.1 mt -105.23 -39.17 6.27 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.159 0.981 . . . . 0.0 110.912 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -22.2 23.65 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.17 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.11 102.2 0.07 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.031 0.92 . . . . 0.0 110.938 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 176.09 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.975 0.893 . . . . 0.0 111.107 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.371 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 175.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.51 -0.576 0 CA-C-O 121.896 0.855 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -146.18 78.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.055 0.931 . . . . 0.0 110.976 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.49 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.564 1.174 . . . . 0.0 110.842 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -95.22 -32.95 12.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.886 0.85 . . . . 0.0 110.944 174.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.15 -20.21 16.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.373 0.606 . . . . 0.0 112.01 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -66.26 -40.9 90.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.06 0.933 . . . . 0.0 110.981 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.46 -37.49 83.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.963 0.887 . . . . 0.0 111.024 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -67.54 -22.57 65.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.466 0.65 . . . . 0.0 111.921 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -38.79 49.35 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.028 0.918 . . . . 0.0 111.094 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.16 72.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.703 0.764 . . . . 0.0 111.348 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.66 -39.79 73.4 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.925 0.869 . . . . 0.0 111.174 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -41.01 97.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.141 0.972 . . . . 0.0 110.973 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.2 -16.94 61.41 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.476 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.91 23.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.036 0.922 . . . . 0.0 111.046 175.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.74 81.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.041 0.924 . . . . 0.0 110.944 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.15 -34.63 78.51 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.01 0.909 . . . . 0.0 111.169 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.25 31.59 3.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.819 0.819 . . . . 0.0 111.664 -174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 82.32 2.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.964 0.887 . . . . 0.0 111.074 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.24 -55.16 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.986 0.898 . . . . 0.0 111.075 -176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.366 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -178.418 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 5' ' ' LEU . 10.5 t80 . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.072 0.939 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -132.74 58.75 1.75 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.029 0.919 . . . . 0.0 111.058 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -179.46 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.107 0.956 . . . . 0.0 111.264 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.42 -36.68 13.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.027 0.918 . . . . 0.0 111.007 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 1' ' ' TYR . 15.4 mt -92.23 -31.82 15.29 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.817 0.818 . . . . 0.0 111.115 -175.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -43.02 99.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.968 0.889 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -65.56 -39.66 91.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.01 0.909 . . . . 0.0 111.022 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 23.1 mtp85 -60.73 -34.88 75.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.919 0.866 . . . . 0.0 111.065 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -40.05 95.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.158 0.98 . . . . 0.0 110.996 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -25.96 68.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.6 0.714 . . . . 0.0 111.594 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 8' ' ' ARG . . . -63.83 -58.41 6.9 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.947 0.879 . . . . 0.0 111.005 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -37.0 70.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.057 0.932 . . . . 0.0 110.991 -176.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.73 -34.8 76.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.959 0.885 . . . . 0.0 111.089 -177.535 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.44 -39.06 91.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.984 0.897 . . . . 0.0 111.146 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.28 68.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.884 0.849 . . . . 0.0 111.327 -174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.87 -35.95 57.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.11 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -96.95 31.24 2.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.857 0.837 . . . . 0.0 111.53 -175.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -97.12 38.16 1.27 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.874 0.845 . . . . 0.0 111.187 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -170.5 -69.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.048 0.928 . . . . 0.0 111.116 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.348 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.651 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.569 ' HD1' ' N ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 122.132 0.968 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.59 66.0 0.12 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.031 0.92 . . . . 0.0 110.9 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.08 -35.75 10.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.835 0.826 . . . . 0.0 111.543 -174.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -41.8 10.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.806 0.813 . . . . 0.0 111.637 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.45 -27.19 60.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.638 0.732 . . . . 0.0 111.812 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.3 ttp85 -68.15 -39.1 82.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.094 0.949 . . . . 0.0 110.95 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.43 81.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.909 0.861 . . . . 0.0 111.115 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -66.5 -30.61 70.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.764 0.792 . . . . 0.0 111.274 177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.27 -40.94 81.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 111.061 179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.56 -29.97 71.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.584 0.707 . . . . 0.0 111.675 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.88 72.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.836 0.827 . . . . 0.0 111.087 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -39.13 93.34 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.192 0.996 . . . . 0.0 110.947 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 9' ' ' LEU . 5.3 mt -73.38 -19.97 60.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.351 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.03 -43.37 78.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.046 0.927 . . . . 0.0 111.217 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.84 91.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.968 0.889 . . . . 0.0 111.142 -174.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -82.0 -32.75 30.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.792 0.806 . . . . 0.0 111.768 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -68.6 -12.16 60.96 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -86.82 85.86 7.3 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.193 -0.942 . . . . 0.0 110.988 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -169.76 -54.76 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.992 0.901 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.433 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 178.471 . . . . . . . . 0 0 . 1 stop_ save_