data_1gib_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 1gib _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' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.9 m -79.04 -10.19 59.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 123.866 0.729 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 121.319 0.58 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -123.18 -62.36 1.34 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.104 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 m 50.35 24.28 1.48 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 124.821 1.326 . . . . 0.0 113.522 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -80.01 -42.38 23.96 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.429 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.65 150.8 47.87 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.012 0.82 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -57.67 -58.34 8.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.12 0.888 . . . . 0.0 109.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -57.68 -17.09 13.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.64 -2.6 57.01 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.365 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 61.1 mtp . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -38.93 5.49 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -32.8 65.39 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -93.92 -46.91 6.96 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 116.534 -1.698 . . . . 0.0 107.415 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.725 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -89.95 -15.78 31.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.495 1.813 0 O-C-N 123.799 0.687 . . . . 0.0 109.229 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 . . . . . 0 N--CA 1.498 1.952 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -142.56 40.83 1.58 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.941 -1.481 . . . . 0.0 107.726 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -52.8 -2.28 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -79.5 -23.71 42.78 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -75.66 140.58 42.62 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.784 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.447 ' N ' HH21 ' A' ' 14' ' ' ARG . 89.3 mtt-85 -61.54 -13.56 22.39 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.661 HH21 ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -90.77 -23.15 20.73 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 5.4 m -87.84 -42.01 12.85 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.34 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm . . . . . 0 N--CA 1.503 2.214 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.6 mtp . . . . . 0 N--CA 1.506 2.357 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -47.79 -38.27 15.39 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 p -56.27 -13.49 2.18 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -120.61 -43.54 2.48 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 116.743 -1.598 . . . . 0.0 110.839 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.82 -4.0 27.06 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.305 -1.316 . . . . 0.0 114.288 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -79.96 -60.86 2.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m 48.6 22.24 0.49 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.722 1.264 . . . . 0.0 114.341 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.22 -36.31 34.97 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.057 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.1 m-20 -72.12 142.86 49.15 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -12.74 33.19 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -29.45 32.58 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 2.3 m -84.36 -42.51 15.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 123.706 0.629 . . . . 0.0 111.84 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt . . . . . 0 N--CA 1.5 2.069 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 121.622 0.725 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.92 -50.44 5.79 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.48 -30.28 4.99 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -99.87 -43.63 6.34 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.076 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 86.4 m -116.72 17.36 15.22 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -65.17 1.04 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.119 0.887 . . . . 0.0 108.996 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 33.9 m 55.71 13.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -80.37 -13.82 58.84 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -89.98 148.1 23.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 123.752 0.658 . . . . 0.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -60.89 -18.49 56.7 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -68.73 -34.87 76.34 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.968 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -81.48 -29.58 33.63 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtp . . . . . 0 N--CA 1.501 2.09 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -60.16 -35.74 76.0 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.756 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.29 -12.66 57.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 123.724 0.64 . . . . 0.0 111.732 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 4.8 m -122.89 16.74 10.13 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.014 0.821 . . . . 0.0 109.559 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.143 0 CA-C-O 116.631 -1.652 . . . . 0.0 113.452 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.06 -5.64 56.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.32 1.012 . . . . 0.0 112.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.496 1.87 0 O-C-N 124.105 0.878 . . . . 0.0 108.913 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 11' ' ' LYS . 49.5 tttp -140.91 57.3 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.6 m -66.07 15.49 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.711 -1.586 . . . . 0.0 114.302 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 9' ' ' LYS . 21.6 mtpt -81.57 -32.75 32.0 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.1 m-20 -74.89 143.45 43.8 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.575 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -66.82 -10.32 46.64 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -89.48 -29.42 19.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.022 0.826 . . . . 0.0 109.451 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 11.7 m -88.11 -40.59 13.66 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.075 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt . . . . . 0 N--CA 1.499 1.987 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.651 0.739 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -42.86 -39.4 2.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 p -55.07 -18.81 5.93 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -114.54 -44.44 3.08 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 113.721 -1.581 . . . . 0.0 108.243 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.448 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 9.3 m -114.05 1.12 14.54 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HD3' ' SG ' ' A' ' 4' ' ' CYS . 5.8 mtt85 . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.78 31.57 1.05 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.748 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 65.6 m -67.11 13.32 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.67 -18.43 51.4 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.419 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -78.86 143.44 35.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.858 0.724 . . . . 0.0 110.037 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -60.51 -28.49 68.42 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -63.32 -24.76 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.361 0.413 . . . . 0.0 111.162 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.6 m -89.33 -27.88 20.2 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 122.281 1.038 . . . . 0.0 113.432 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -61.5 -37.71 84.67 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.872 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -37.45 62.32 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.131 0.894 . . . . 0.0 111.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.53 -51.38 6.93 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.28 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.58 -1.76 49.75 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.775 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.493 1.708 0 O-C-N 124.53 1.143 . . . . 0.0 108.948 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -79.91 -63.93 1.3 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m 52.0 12.43 0.2 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -79.94 -32.07 40.01 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.566 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.4 m-20 -68.62 142.12 55.22 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.967 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.1 -15.12 58.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -81.98 -34.35 29.74 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 13.8 m -75.84 -45.43 35.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.038 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.966 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.3 mtm . . . . . 0 N--CA 1.501 2.082 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -40.61 4.68 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -12.79 4.57 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -127.52 -44.45 1.54 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.464 0.477 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.192 0 CA-C-O 116.212 -1.852 . . . . 0.0 112.504 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.506 2.343 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.8 m -79.26 0.38 28.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 123.982 0.801 . . . . 0.0 111.264 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -124.72 -61.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.191 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m 50.47 26.25 2.28 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.501 1.126 . . . . 0.0 113.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -79.82 -38.86 32.01 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.481 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 m-20 -65.69 151.44 46.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 124.072 0.858 . . . . 0.0 111.67 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -64.15 -46.96 81.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.078 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -64.47 -16.9 63.25 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.484 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 92.2 m -93.73 0.86 56.59 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 123.862 0.726 . . . . 0.0 111.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.647 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.9 mtp . . . . . 0 N--CA 1.501 2.081 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -45.82 46.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.512 1.132 . . . . 0.0 113.495 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.93 -33.45 75.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 123.614 0.571 . . . . 0.0 110.145 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.1 m -102.22 24.79 9.68 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.427 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.958 0 O-C-N 124.45 1.094 . . . . 0.0 108.741 -179.711 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.6 m -123.42 2.12 9.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.774 1.296 . . . . 0.0 113.089 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.829 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 50.71 0.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.568 1.175 . . . . 0.0 109.782 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -75.57 23.86 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.989 -1.46 . . . . 0.0 114.265 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.8 -21.98 43.65 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.009 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.556 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 4.0 m-20 -76.9 145.11 38.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.706 0.629 . . . . 0.0 112.196 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.01 -8.28 28.89 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.817 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.39 21.57 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.369 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 14.2 m -86.46 -40.65 15.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 123.999 0.812 . . . . 0.0 109.881 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 N--CA 1.5 2.048 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 mtm . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 122.04 0.924 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -54.06 -36.12 62.77 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 113.554 -1.657 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -53.49 -36.03 61.23 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.74 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 89.5 m -90.69 -44.83 9.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.799 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.399 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.24 -6.38 56.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.033 0.833 . . . . 0.0 111.367 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -134.71 -58.37 0.82 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.3 m 50.69 25.03 1.89 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.362 1.039 . . . . 0.0 112.231 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -79.88 -25.92 40.48 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.302 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.11 156.49 37.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.909 0.755 . . . . 0.0 111.675 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -64.07 -55.71 20.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -65.07 -16.04 63.02 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.8 m -92.42 -3.55 55.07 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.355 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 mmm . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -49.15 -54.4 16.51 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.391 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.72 -28.75 70.17 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 12.9 m -97.58 22.15 9.34 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.67 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.047 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.1 m -79.98 -4.67 53.51 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.497 1.903 0 C-N-CA 118.551 -1.26 . . . . 0.0 108.239 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -135.82 -65.99 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.012 -1.449 . . . . 0.0 108.98 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.0 m 52.92 13.59 0.37 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.419 1.075 . . . . 0.0 113.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -35.2 37.27 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.493 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.466 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -63.58 143.96 57.4 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.861 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.67 -35.58 78.38 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -56.52 -18.7 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.88 -1.509 . . . . 0.0 113.276 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.0 m -84.29 -4.17 58.69 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.4 mtp . . . . . 0 N--CA 1.497 1.887 0 CA-C-O 122.94 1.352 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -58.99 -27.4 65.37 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.113 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -54.2 -35.77 62.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 123.619 0.574 . . . . 0.0 111.833 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 m -80.17 -44.25 20.17 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.236 -1.364 . . . . 0.0 111.489 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.51 9.72 17.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.781 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -65.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.782 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 54.35 9.88 0.28 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.72 1.262 . . . . 0.0 113.135 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -80.04 -35.99 36.39 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.62 129.6 40.1 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -59.05 -12.74 5.18 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.549 0.531 . . . . 0.0 111.74 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -70.69 -31.46 68.35 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.259 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -11.47 37.04 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 123.747 0.654 . . . . 0.0 112.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.932 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.124 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -40.24 24.03 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -62.69 -12.57 24.44 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -119.67 -44.9 2.52 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 116.481 -1.724 . . . . 0.0 109.503 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.48 -4.01 49.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 120.647 0.26 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 11' ' ' LYS . 27.0 tptt -126.14 48.24 2.14 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -66.84 8.88 0.22 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.673 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 9' ' ' LYS . 3.3 ttmm -79.36 -25.4 42.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -86.79 126.81 34.86 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HE ' ' HZ1' ' A' ' 16' ' ' LYS . 46.1 mtp180 -55.09 -24.55 26.15 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.942 0.776 . . . . 0.0 111.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 ttp85 -57.8 -34.03 69.19 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.258 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.51 25.44 11.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 124.006 0.816 . . . . 0.0 112.136 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HZ1' ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.921 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.147 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.502 2.169 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -55.86 -52.01 65.55 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 p -61.47 -19.87 62.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 123.871 0.732 . . . . 0.0 112.065 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -116.71 21.91 13.07 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 124.192 0.932 . . . . 0.0 110.809 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.617 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.99 -0.29 34.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.97 0.794 . . . . 0.0 111.517 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.407 ' H ' ' HG1' ' A' ' 5' ' ' THR . 1.3 p . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -79.75 -64.69 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.045 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m 51.01 20.93 0.89 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 124.351 1.032 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -79.64 -47.62 15.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.05 133.45 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.473 1.108 . . . . 0.0 109.842 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -53.67 -27.7 29.17 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.045 0.841 . . . . 0.0 110.455 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -54.86 -31.76 59.97 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.37 13.24 24.28 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp . . . . . 0 N--CA 1.496 1.838 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.464 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.8 mmm . . . . . 0 N--CA 1.503 2.209 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -50.61 61.81 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 124.624 1.202 . . . . 0.0 112.05 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 p -58.8 -27.44 65.05 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m -108.14 32.24 4.93 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 124.298 0.999 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 115.816 -2.04 . . . . 0.0 109.669 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.16 8.49 8.67 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.236 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -56.3 4.29 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m 43.07 22.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.1 1.5 . . . . 0.0 114.958 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -31.76 13.24 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.97 139.77 43.19 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.004 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -68.32 -1.4 6.25 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -89.86 -38.37 13.78 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.622 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.55 -39.83 16.97 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.501 2.093 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -52.03 -23.23 4.89 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -18.03 64.06 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.65 -42.82 2.61 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 116.435 -1.745 . . . . 0.0 110.257 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.245 0.545 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.6 m -105.45 -8.98 17.78 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.749 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.501 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.58 0.705 . . . . 0.0 112.708 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -85.53 47.39 1.42 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.501 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 89.5 m -80.25 59.87 3.53 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.721 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -128.78 -25.3 2.85 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.235 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.583 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.6 m-20 -74.6 145.92 42.93 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.601 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -64.72 -14.14 57.45 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 121.526 0.679 . . . . 0.0 109.454 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.17 -22.46 58.03 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -92.56 -25.34 18.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.007 0.817 . . . . 0.0 112.906 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.663 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -58.73 -28.74 66.14 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.98 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -61.93 -31.02 71.3 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -99.29 -46.39 5.54 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 123.994 0.809 . . . . 0.0 109.876 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -80.52 -11.74 59.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.803 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -111.05 -72.01 0.74 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.775 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 50.94 16.25 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 124.525 1.141 . . . . 0.0 114.032 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -79.9 -20.39 45.93 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.21 140.09 31.15 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.351 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HE ' ' HZ3' ' A' ' 16' ' ' LYS . 17.0 ttm180 -62.88 -27.46 69.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.026 0.828 . . . . 0.0 109.64 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -74.57 -32.46 62.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.256 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -94.65 7.28 46.29 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.804 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HZ3' ' HE ' ' A' ' 13' ' ' ARG . 10.7 ttmt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.67 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -55.04 -42.87 73.21 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.926 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.83 -32.03 73.33 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -92.25 16.81 10.74 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.778 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 116.134 -1.889 . . . . 0.0 111.323 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.253 0.073 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 97.4 m -79.15 -4.13 48.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.036 0.835 . . . . 0.0 112.515 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.802 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -110.03 -62.19 1.54 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 m 52.25 22.0 1.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 124.52 1.138 . . . . 0.0 112.88 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -84.7 -39.78 18.13 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.67 143.83 57.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.518 1.136 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.01 -21.52 65.03 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.689 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.7 -19.68 25.82 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 124.221 0.951 . . . . 0.0 108.827 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.8 m -94.79 -9.61 34.02 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.599 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.967 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 120.476 0.179 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -54.88 -44.43 74.08 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.104 0.877 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -61.26 -23.62 65.8 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.634 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 57.0 m -115.15 22.27 13.48 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.715 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 116.797 -1.573 . . . . 0.0 111.544 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.3 m -79.74 -8.42 59.23 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.5 2.073 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -121.93 -66.47 1.04 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.188 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m 55.73 26.37 9.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 124.232 0.957 . . . . 0.0 112.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -91.94 -5.05 53.83 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.734 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.475 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m-20 -105.44 147.46 28.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.522 0.514 . . . . 0.0 111.147 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -59.33 -25.97 64.64 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -24.57 33.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.562 1.164 . . . . 0.0 111.315 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 76.2 m -86.55 -40.92 14.75 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.773 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 O-C-N 123.956 0.785 . . . . 0.0 112.939 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' A' ' 15' ' ' CYS . 85.2 mtp . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -51.06 -29.77 13.88 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.65 2.33 22.95 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.09 -40.41 0.75 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.093 0 O-C-N 124.586 1.179 . . . . 0.0 111.671 -179.861 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 14' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.85 -1.69 40.17 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.502 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.786 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 120.675 0.274 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.23 -54.3 3.47 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.8 m 52.86 18.55 1.08 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.77 1.294 . . . . 0.0 114.24 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -84.39 -38.52 20.17 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.791 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.553 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 7.0 m-20 -70.52 143.14 51.75 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.748 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.05 -10.7 15.22 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 113.851 -1.522 . . . . 0.0 111.646 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 1.9 ptm180 -86.78 -28.4 23.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 123.877 0.735 . . . . 0.0 111.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -86.39 -40.11 15.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.619 0.574 . . . . 0.0 112.006 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.837 0.827 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -46.21 -32.7 3.17 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -23.89 29.48 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -114.72 -43.01 3.18 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 116.595 -1.669 . . . . 0.0 108.635 179.848 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 t70 52.98 86.52 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.379 1.049 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.0 m -152.79 -48.73 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.707 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.9 m -79.04 -10.19 59.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 123.866 0.729 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -62.27 124.07 19.9 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -54.07 160.59 1.48 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 123.89 0.744 . . . . 0.0 112.49 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -123.18 -62.36 1.34 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.104 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 m 50.35 24.28 1.48 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 124.821 1.326 . . . . 0.0 113.522 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -80.01 -42.38 23.96 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.429 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.65 150.8 47.87 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.012 0.82 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -57.67 -58.34 8.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.12 0.888 . . . . 0.0 109.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -57.68 -17.09 13.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.64 -2.6 57.01 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 5.8 tmtt? -83.89 -46.01 12.59 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.365 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.464 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 61.1 mtp -52.73 125.96 18.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 124.446 1.091 . . . . 0.0 109.566 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -38.93 5.49 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -32.8 65.39 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -93.92 -46.91 6.96 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 116.534 -1.698 . . . . 0.0 107.415 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -165.38 19.45 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 m -112.07 -61.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.106 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -89.95 -15.78 31.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -59.53 129.28 41.19 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.799 0.687 . . . . 0.0 109.229 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -53.65 172.4 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -142.56 40.83 1.58 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.941 -1.481 . . . . 0.0 107.726 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -52.8 -2.28 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -79.5 -23.71 42.78 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -75.66 140.58 42.62 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.784 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' N ' HH21 ' A' ' 14' ' ' ARG . 89.3 mtt-85 -61.54 -13.56 22.39 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.661 HH21 ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -90.77 -23.15 20.73 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 5.4 m -87.84 -42.01 12.85 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.34 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -40.27 -46.68 2.34 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.6 mtp -45.87 132.27 9.1 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 124.546 1.154 . . . . 0.0 112.767 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -47.79 -38.27 15.39 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 p -56.27 -13.49 2.18 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -120.61 -43.54 2.48 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 116.743 -1.598 . . . . 0.0 110.839 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -141.02 -172.22 3.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -136.73 -44.33 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.453 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.82 -4.0 27.06 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.305 -1.316 . . . . 0.0 114.288 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -63.33 122.68 16.8 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.32 126.31 20.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 124.028 0.83 . . . . 0.0 110.622 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -79.96 -60.86 2.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m 48.6 22.24 0.49 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.722 1.264 . . . . 0.0 114.341 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.22 -36.31 34.97 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.057 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.1 m-20 -72.12 142.86 49.15 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -12.74 33.19 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -29.45 32.58 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 2.3 m -84.36 -42.51 15.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 123.706 0.629 . . . . 0.0 111.84 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -40.38 -44.75 2.03 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.1 mmm -58.44 137.33 57.39 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.132 0.895 . . . . 0.0 112.204 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.92 -50.44 5.79 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.48 -30.28 4.99 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -99.87 -43.63 6.34 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.076 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -160.88 170.76 20.0 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.635 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 m -75.15 -40.81 59.33 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.08 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 86.4 m -116.72 17.36 15.22 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 t -77.16 125.35 29.18 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -50.26 133.36 23.94 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 124.022 0.827 . . . . 0.0 112.431 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -65.17 1.04 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.119 0.887 . . . . 0.0 108.996 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 33.9 m 55.71 13.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -80.37 -13.82 58.84 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -89.98 148.1 23.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 123.752 0.658 . . . . 0.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -60.89 -18.49 56.7 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -68.73 -34.87 76.34 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.968 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -81.48 -29.58 33.63 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.45 2.87 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtp -47.56 126.85 10.54 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -60.16 -35.74 76.0 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.756 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.29 -12.66 57.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 123.724 0.64 . . . . 0.0 111.732 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 4.8 m -122.89 16.74 10.13 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.014 0.821 . . . . 0.0 109.559 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.143 0 CA-C-O 116.631 -1.652 . . . . 0.0 113.452 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.53 ' HE ' ' H3 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -133.14 27.36 4.19 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.99 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.84 -74.22 0.51 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.226 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.06 -5.64 56.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.32 1.012 . . . . 0.0 112.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m -59.4 106.75 0.48 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 124.105 0.878 . . . . 0.0 108.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -58.71 170.24 0.83 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 124.196 0.935 . . . . 0.0 112.645 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 11' ' ' LYS . 49.5 tttp -140.91 57.3 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.6 m -66.07 15.49 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.711 -1.586 . . . . 0.0 114.302 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 9' ' ' LYS . 21.6 mtpt -81.57 -32.75 32.0 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.1 m-20 -74.89 143.45 43.8 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.575 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -66.82 -10.32 46.64 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -89.48 -29.42 19.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.022 0.826 . . . . 0.0 109.451 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 11.7 m -88.11 -40.59 13.66 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.075 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 16.6 mmtt -47.2 -48.52 23.89 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.42 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtp -66.3 136.37 55.73 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.049 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -42.86 -39.4 2.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 p -55.07 -18.81 5.93 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -114.54 -44.44 3.08 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 113.721 -1.581 . . . . 0.0 108.243 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -154.61 159.57 40.93 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.417 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -81.54 -29.42 33.52 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.448 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 9.3 m -114.05 1.12 14.54 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -62.53 127.58 31.99 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HD3' ' SG ' ' A' ' 4' ' ' CYS . 5.8 mtt85 -42.56 119.82 1.53 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.422 1.076 . . . . 0.0 113.026 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.78 31.57 1.05 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.748 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 65.6 m -67.11 13.32 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.67 -18.43 51.4 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -78.86 143.44 35.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.858 0.724 . . . . 0.0 110.037 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -60.51 -28.49 68.42 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -63.32 -24.76 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.361 0.413 . . . . 0.0 111.162 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.6 m -89.33 -27.88 20.2 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.5 -50.08 9.65 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 mmt -59.51 131.2 50.22 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 122.281 1.038 . . . . 0.0 113.432 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -61.5 -37.71 84.67 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.872 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -37.45 62.32 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.131 0.894 . . . . 0.0 111.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.53 -51.38 6.93 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.28 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 t70 70.0 58.88 0.27 Allowed 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 122.509 1.147 . . . . 0.0 108.181 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 m -154.73 -73.04 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.151 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.58 -1.76 49.75 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.775 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -58.73 111.26 1.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.53 1.143 . . . . 0.0 108.948 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -40.13 124.55 1.87 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 124.518 1.136 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -79.91 -63.93 1.3 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m 52.0 12.43 0.2 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -79.94 -32.07 40.01 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.566 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.4 m-20 -68.62 142.12 55.22 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.967 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.1 -15.12 58.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -81.98 -34.35 29.74 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 13.8 m -75.84 -45.43 35.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HZ2' ' HD1' ' A' ' 17' ' ' HYP . 0.7 OUTLIER -49.7 -46.51 50.15 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.966 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.461 ' HD1' ' HZ2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.3 mtm -62.89 135.97 57.6 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 124.455 1.097 . . . . 0.0 109.158 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -40.61 4.68 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -12.79 4.57 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -127.52 -44.45 1.54 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.464 0.477 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.192 0 CA-C-O 116.212 -1.852 . . . . 0.0 112.504 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.82 -46.64 3.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 113.657 -1.611 . . . . 0.0 108.74 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m 149.45 -48.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 O-C-N 125.675 1.859 . . . . 0.0 107.987 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.8 m -79.26 0.38 28.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 123.982 0.801 . . . . 0.0 111.264 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.86 110.71 2.96 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -54.52 164.02 0.8 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -124.72 -61.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.191 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m 50.47 26.25 2.28 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.501 1.126 . . . . 0.0 113.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -79.82 -38.86 32.01 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.481 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 m-20 -65.69 151.44 46.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 124.072 0.858 . . . . 0.0 111.67 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -64.15 -46.96 81.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.078 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -64.47 -16.9 63.25 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.484 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 92.2 m -93.73 0.86 56.59 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 123.862 0.726 . . . . 0.0 111.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 2.3 tptm -77.85 -48.76 15.69 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.647 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.452 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.9 mtp -44.46 136.87 3.97 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 124.764 1.29 . . . . 0.0 111.69 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -45.82 46.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.512 1.132 . . . . 0.0 113.495 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.93 -33.45 75.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 123.614 0.571 . . . . 0.0 110.145 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.1 m -102.22 24.79 9.68 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.427 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.958 0 O-C-N 124.45 1.094 . . . . 0.0 108.741 -179.711 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.55 ' HE ' ' HG1' ' A' ' 5' ' ' THR . 9.2 mtp180 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.84 -63.66 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.456 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.19 -37.87 56.15 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.375 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.6 m -123.42 2.12 9.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.774 1.296 . . . . 0.0 113.089 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.55 ' HG1' ' HE ' ' A' ' 1' ' ' ARG . 4.6 t -71.05 127.94 34.28 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -47.26 116.56 1.44 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 124.397 1.061 . . . . 0.0 112.44 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 50.71 0.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.568 1.175 . . . . 0.0 109.782 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -75.57 23.86 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.989 -1.46 . . . . 0.0 114.265 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.8 -21.98 43.65 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.009 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.556 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 4.0 m-20 -76.9 145.11 38.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.706 0.629 . . . . 0.0 112.196 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.01 -8.28 28.89 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.817 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.39 21.57 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.369 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 14.2 m -86.46 -40.65 15.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 123.999 0.812 . . . . 0.0 109.881 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 5.2 ttpt -40.52 -48.64 2.85 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.403 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 mtm -56.6 130.76 46.56 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 122.04 0.924 . . . . 0.0 111.406 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -54.06 -36.12 62.77 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 113.554 -1.657 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -53.49 -36.03 61.23 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.74 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 89.5 m -90.69 -44.83 9.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.799 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.399 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.5 t70 47.69 41.07 13.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 124.315 1.009 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.26 -51.99 4.17 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.24 -6.38 56.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.033 0.833 . . . . 0.0 111.367 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -65.59 113.56 4.29 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -61.68 164.48 6.04 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.232 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -134.71 -58.37 0.82 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.3 m 50.69 25.03 1.89 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.362 1.039 . . . . 0.0 112.231 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -79.88 -25.92 40.48 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.302 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.11 156.49 37.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.909 0.755 . . . . 0.0 111.675 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -64.07 -55.71 20.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -65.07 -16.04 63.02 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.8 m -92.42 -3.55 55.07 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 4.0 tmtm? -71.92 -49.2 39.72 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.355 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.447 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 mmm -43.29 147.29 0.39 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -49.15 -54.4 16.51 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.391 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.72 -28.75 70.17 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 12.9 m -97.58 22.15 9.34 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.67 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.047 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.985 0.421 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.13 -178.62 5.67 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.929 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -81.36 -61.35 1.97 Allowed 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.1 m -79.98 -4.67 53.51 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -64.61 127.37 31.23 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.551 -1.26 . . . . 0.0 108.239 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -48.89 170.4 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -135.82 -65.99 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.012 -1.449 . . . . 0.0 108.98 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.0 m 52.92 13.59 0.37 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.419 1.075 . . . . 0.0 113.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -35.2 37.27 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.493 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -63.58 143.96 57.4 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.861 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.67 -35.58 78.38 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -56.52 -18.7 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.88 -1.509 . . . . 0.0 113.276 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.0 m -84.29 -4.17 58.69 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 93.1 mttt -56.17 -41.82 76.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.431 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.4 mtp -63.02 110.27 1.75 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 122.94 1.352 . . . . 0.0 111.995 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -58.99 -27.4 65.37 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.113 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -54.2 -35.77 62.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 123.619 0.574 . . . . 0.0 111.833 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 m -80.17 -44.25 20.17 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.236 -1.364 . . . . 0.0 111.489 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.502 ' H ' ' HG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -124.85 -168.35 1.81 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.159 0.912 . . . . 0.0 110.643 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.5 -51.41 65.65 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.942 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.51 9.72 17.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.502 ' HG1' ' H ' ' A' ' 2' ' ' ASP . 5.2 m -70.24 113.32 7.3 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.781 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.411 ' HA ' ' N ' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' N ' ' HA ' ' A' ' 6' ' ' HYP . 46.5 mtt85 -48.37 141.21 6.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.336 1.023 . . . . 0.0 113.169 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -65.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.782 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 54.35 9.88 0.28 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.72 1.262 . . . . 0.0 113.135 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -80.04 -35.99 36.39 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.62 129.6 40.1 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -59.05 -12.74 5.18 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.549 0.531 . . . . 0.0 111.74 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -70.69 -31.46 68.35 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.259 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -11.47 37.04 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 123.747 0.654 . . . . 0.0 112.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -46.83 38.78 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.932 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.52 133.42 5.76 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -40.24 24.03 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -62.69 -12.57 24.44 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -119.67 -44.9 2.52 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 116.481 -1.724 . . . . 0.0 109.503 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.451 ' H ' ' HG1' ' A' ' 5' ' ' THR . 1.6 m-20 -112.42 -167.59 1.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.61 -56.37 16.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.696 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.48 -4.01 49.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' HG1' ' H ' ' A' ' 2' ' ' ASP . 4.8 m -63.7 113.19 3.21 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.41 161.64 4.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 123.524 0.515 . . . . 0.0 111.497 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 11' ' ' LYS . 27.0 tptt -126.14 48.24 2.14 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -66.84 8.88 0.22 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.673 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 9' ' ' LYS . 3.3 ttmm -79.36 -25.4 42.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -86.79 126.81 34.86 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HE ' ' HZ1' ' A' ' 16' ' ' LYS . 46.1 mtp180 -55.09 -24.55 26.15 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.942 0.776 . . . . 0.0 111.297 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 ttp85 -57.8 -34.03 69.19 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.258 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.51 25.44 11.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 124.006 0.816 . . . . 0.0 112.136 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HZ1' ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -72.19 -49.26 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.147 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.453 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -46.32 152.88 0.39 Allowed 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -55.86 -52.01 65.55 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 p -61.47 -19.87 62.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 123.871 0.732 . . . . 0.0 112.065 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -116.71 21.91 13.07 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 124.192 0.932 . . . . 0.0 110.809 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.617 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.81 24.76 4.66 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-O 121.788 0.804 . . . . 0.0 111.21 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.73 -59.28 2.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 108.181 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.99 -0.29 34.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.97 0.794 . . . . 0.0 111.517 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 ' H ' ' HG1' ' A' ' 5' ' ' THR . 1.3 p -63.79 131.86 49.14 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -48.72 118.06 2.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 124.088 0.867 . . . . 0.0 112.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -79.75 -64.69 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.045 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m 51.01 20.93 0.89 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 124.351 1.032 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -79.64 -47.62 15.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.05 133.45 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.473 1.108 . . . . 0.0 109.842 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -53.67 -27.7 29.17 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.045 0.841 . . . . 0.0 110.455 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -54.86 -31.76 59.97 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.37 13.24 24.28 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 18.4 mtpp -66.42 -43.97 84.2 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.464 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.47 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.8 mmm -46.64 143.66 2.62 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -50.61 61.81 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 124.624 1.202 . . . . 0.0 112.05 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 p -58.8 -27.44 65.05 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m -108.14 32.24 4.93 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 124.298 0.999 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 115.816 -2.04 . . . . 0.0 109.669 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.769 0.318 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.26 43.28 18.84 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 122.337 1.065 . . . . 0.0 111.942 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -82.24 -68.42 0.7 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.213 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.16 8.49 8.67 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.236 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t -64.73 133.95 53.16 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -49.77 139.01 13.74 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -56.3 4.29 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.1 m 43.07 22.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.1 1.5 . . . . 0.0 114.958 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -31.76 13.24 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.97 139.77 43.19 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.004 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -68.32 -1.4 6.25 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -89.86 -38.37 13.78 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.622 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.55 -39.83 16.97 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -47.13 11.3 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.7 mtp -54.26 131.5 41.75 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -52.03 -23.23 4.89 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -18.03 64.06 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.65 -42.82 2.61 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 116.435 -1.745 . . . . 0.0 110.257 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.81 98.94 2.24 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.189 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -152.0 -42.96 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.6 m -105.45 -8.98 17.78 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -64.59 135.5 56.02 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.749 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -39.66 111.42 0.19 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.487 1.117 . . . . 0.0 112.708 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -85.53 47.39 1.42 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.501 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 89.5 m -80.25 59.87 3.53 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.721 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -128.78 -25.3 2.85 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.235 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.583 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.6 m-20 -74.6 145.92 42.93 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.601 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -64.72 -14.14 57.45 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 121.526 0.679 . . . . 0.0 109.454 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.17 -22.46 58.03 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -92.56 -25.34 18.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.007 0.817 . . . . 0.0 112.906 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 3.3 mmtt -48.31 -39.48 21.95 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.663 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.481 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.4 mmm -52.89 126.07 19.1 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -58.73 -28.74 66.14 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.98 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -61.93 -31.02 71.3 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -99.29 -46.39 5.54 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 123.994 0.809 . . . . 0.0 109.876 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -156.72 171.1 20.96 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.742 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.74 -41.33 7.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 124.058 0.849 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -80.52 -11.74 59.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 t -58.15 130.11 45.11 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -51.08 164.5 0.16 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -111.05 -72.01 0.74 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.775 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 50.94 16.25 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 124.525 1.141 . . . . 0.0 114.032 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -79.9 -20.39 45.93 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.21 140.09 31.15 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.351 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HE ' ' HZ3' ' A' ' 16' ' ' LYS . 17.0 ttm180 -62.88 -27.46 69.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.026 0.828 . . . . 0.0 109.64 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -74.57 -32.46 62.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.256 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -94.65 7.28 46.29 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.804 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HZ3' ' HE ' ' A' ' 13' ' ' ARG . 10.7 ttmt -77.69 -48.25 17.2 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.67 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.456 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.1 138.48 1.1 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 124.645 1.215 . . . . 0.0 113.571 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -55.04 -42.87 73.21 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.926 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.83 -32.03 73.33 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -92.25 16.81 10.74 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.778 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 116.134 -1.889 . . . . 0.0 111.323 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.406 ' H2 ' ' NE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.952 0.406 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.24 -0.74 3.28 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.762 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -91.79 -46.64 7.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 123.98 0.8 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 97.4 m -79.15 -4.13 48.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.036 0.835 . . . . 0.0 112.515 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -67.02 125.27 25.48 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -56.95 159.53 4.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 123.791 0.682 . . . . 0.0 112.237 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -110.03 -62.19 1.54 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 m 52.25 22.0 1.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 124.52 1.138 . . . . 0.0 112.88 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -84.7 -39.78 18.13 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.67 143.83 57.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.518 1.136 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.01 -21.52 65.03 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.689 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.7 -19.68 25.82 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 124.221 0.951 . . . . 0.0 108.827 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.8 m -94.79 -9.61 34.02 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.599 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 9.7 mmtp -77.77 -46.42 21.71 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.967 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.49 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.05 145.12 6.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.851 1.344 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -54.88 -44.43 74.08 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.104 0.877 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -61.26 -23.62 65.8 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.634 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 57.0 m -115.15 22.27 13.48 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.715 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 116.797 -1.573 . . . . 0.0 111.544 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 122.301 1.048 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.38 177.35 4.94 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-N 113.449 -1.705 . . . . 0.0 107.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.14 -35.63 79.37 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 119.366 -0.933 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.3 m -79.74 -8.42 59.23 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m -62.41 105.39 0.61 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . 0.449 ' HA ' ' C ' ' A' ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . 0.449 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -61.18 170.59 1.61 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.123 -0.944 . . . . 0.0 113.267 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -121.93 -66.47 1.04 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.188 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m 55.73 26.37 9.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 124.232 0.957 . . . . 0.0 112.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -91.94 -5.05 53.83 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.734 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m-20 -105.44 147.46 28.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.522 0.514 . . . . 0.0 111.147 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -59.33 -25.97 64.64 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -24.57 33.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.562 1.164 . . . . 0.0 111.315 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 76.2 m -86.55 -40.92 14.75 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.773 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.0 OUTLIER -42.17 -49.09 4.91 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.956 0.785 . . . . 0.0 112.939 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.419 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' A' ' 15' ' ' CYS . 85.2 mtp -47.67 144.91 2.98 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 124.197 0.936 . . . . 0.0 110.236 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -51.06 -29.77 13.88 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.65 2.33 22.95 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.09 -40.41 0.75 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.093 0 O-C-N 124.586 1.179 . . . . 0.0 111.671 -179.861 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' HE ' ' H3 ' ' A' ' 1' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.97 69.25 1.36 Allowed 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 14' ' ' ARG . 1.7 m -161.15 -74.9 0.06 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 113.24 -1.8 . . . . 0.0 109.633 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.85 -1.69 40.17 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.502 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 t -65.89 129.68 40.64 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 123.761 0.663 . . . . 0.0 111.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.23 -54.3 3.47 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.8 m 52.86 18.55 1.08 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.77 1.294 . . . . 0.0 114.24 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -84.39 -38.52 20.17 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.791 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.553 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 7.0 m-20 -70.52 143.14 51.75 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.748 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.05 -10.7 15.22 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 113.851 -1.522 . . . . 0.0 111.646 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 1.9 ptm180 -86.78 -28.4 23.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 123.877 0.735 . . . . 0.0 111.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -86.39 -40.11 15.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.619 0.574 . . . . 0.0 112.006 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.08 -42.35 18.64 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 133.07 50.95 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.076 0.86 . . . . 0.0 110.24 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -46.21 -32.7 3.17 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -23.89 29.48 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -114.72 -43.01 3.18 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 116.595 -1.669 . . . . 0.0 108.635 179.848 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.9 m -79.04 -10.19 59.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 123.866 0.729 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 121.319 0.58 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -123.18 -62.36 1.34 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.104 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 m 50.35 24.28 1.48 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 124.821 1.326 . . . . 0.0 113.522 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -80.01 -42.38 23.96 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.429 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.65 150.8 47.87 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.012 0.82 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -57.67 -58.34 8.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.12 0.888 . . . . 0.0 109.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -57.68 -17.09 13.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.64 -2.6 57.01 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.365 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 61.1 mtp . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -38.93 5.49 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -32.8 65.39 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -93.92 -46.91 6.96 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 116.534 -1.698 . . . . 0.0 107.415 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.725 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -89.95 -15.78 31.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.495 1.813 0 O-C-N 123.799 0.687 . . . . 0.0 109.229 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 . . . . . 0 N--CA 1.498 1.952 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -142.56 40.83 1.58 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.941 -1.481 . . . . 0.0 107.726 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -52.8 -2.28 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -79.5 -23.71 42.78 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.602 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -75.66 140.58 42.62 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.784 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' N ' HH21 ' A' ' 14' ' ' ARG . 89.3 mtt-85 -61.54 -13.56 22.39 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.693 HH21 ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -90.77 -23.15 20.73 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 5.4 m -87.84 -42.01 12.85 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.34 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm . . . . . 0 N--CA 1.503 2.214 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.6 mtp . . . . . 0 N--CA 1.506 2.357 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -47.79 -38.27 15.39 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 p -56.27 -13.49 2.18 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -120.61 -43.54 2.48 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 116.743 -1.598 . . . . 0.0 110.839 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.82 -4.0 27.06 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.305 -1.316 . . . . 0.0 114.288 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -79.96 -60.86 2.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 81.0 m 48.6 22.24 0.49 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.722 1.264 . . . . 0.0 114.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.22 -36.31 34.97 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.057 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.496 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.1 m-20 -72.12 142.86 49.15 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -12.74 33.19 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -29.45 32.58 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 2.3 m -84.36 -42.51 15.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 123.706 0.629 . . . . 0.0 111.84 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt . . . . . 0 N--CA 1.5 2.069 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 121.622 0.725 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.92 -50.44 5.79 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.48 -30.28 4.99 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -99.87 -43.63 6.34 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.076 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 86.4 m -116.72 17.36 15.22 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -65.17 1.04 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.119 0.887 . . . . 0.0 108.996 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 33.9 m 55.71 13.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -80.37 -13.82 58.84 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -89.98 148.1 23.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 123.752 0.658 . . . . 0.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -60.89 -18.49 56.7 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -68.73 -34.87 76.34 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.968 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -81.48 -29.58 33.63 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtp . . . . . 0 N--CA 1.501 2.09 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -60.16 -35.74 76.0 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.756 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.29 -12.66 57.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 123.724 0.64 . . . . 0.0 111.732 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 4.8 m -122.89 16.74 10.13 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.014 0.821 . . . . 0.0 109.559 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.143 0 CA-C-O 116.631 -1.652 . . . . 0.0 113.452 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.06 -5.64 56.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.32 1.012 . . . . 0.0 112.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.496 1.87 0 O-C-N 124.105 0.878 . . . . 0.0 108.913 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -140.91 57.3 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.6 m -66.07 15.49 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.711 -1.586 . . . . 0.0 114.302 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -81.57 -32.75 32.0 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.1 m-20 -74.89 143.45 43.8 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.575 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -66.82 -10.32 46.64 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -89.48 -29.42 19.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.022 0.826 . . . . 0.0 109.451 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 11.7 m -88.11 -40.59 13.66 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.075 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt . . . . . 0 N--CA 1.499 1.987 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.651 0.739 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -42.86 -39.4 2.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 p -55.07 -18.81 5.93 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -114.54 -44.44 3.08 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 113.721 -1.581 . . . . 0.0 108.243 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 9.3 m -114.05 1.12 14.54 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.803 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 5.8 mtt85 . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.78 31.57 1.05 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.748 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 65.6 m -67.11 13.32 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.67 -18.43 51.4 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -78.86 143.44 35.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.858 0.724 . . . . 0.0 110.037 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -60.51 -28.49 68.42 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -63.32 -24.76 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.361 0.413 . . . . 0.0 111.162 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.6 m -89.33 -27.88 20.2 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 122.281 1.038 . . . . 0.0 113.432 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -61.5 -37.71 84.67 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.872 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -37.45 62.32 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.131 0.894 . . . . 0.0 111.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.53 -51.38 6.93 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.28 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.58 -1.76 49.75 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.775 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.493 1.708 0 O-C-N 124.53 1.143 . . . . 0.0 108.948 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -79.91 -63.93 1.3 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m 52.0 12.43 0.2 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -79.94 -32.07 40.01 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.4 m-20 -68.62 142.12 55.22 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.967 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.1 -15.12 58.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -81.98 -34.35 29.74 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 13.8 m -75.84 -45.43 35.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.038 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.966 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.3 mtm . . . . . 0 N--CA 1.501 2.082 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -40.61 4.68 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -12.79 4.57 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -127.52 -44.45 1.54 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.464 0.477 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.192 0 CA-C-O 116.212 -1.852 . . . . 0.0 112.504 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.506 2.343 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.8 m -79.26 0.38 28.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 123.982 0.801 . . . . 0.0 111.264 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -124.72 -61.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.191 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m 50.47 26.25 2.28 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.501 1.126 . . . . 0.0 113.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -79.82 -38.86 32.01 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.481 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 m-20 -65.69 151.44 46.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 124.072 0.858 . . . . 0.0 111.67 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -64.15 -46.96 81.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.078 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -64.47 -16.9 63.25 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.484 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 92.2 m -93.73 0.86 56.59 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 123.862 0.726 . . . . 0.0 111.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.647 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.9 mtp . . . . . 0 N--CA 1.501 2.081 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -45.82 46.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.512 1.132 . . . . 0.0 113.495 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.93 -33.45 75.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 123.614 0.571 . . . . 0.0 110.145 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.1 m -102.22 24.79 9.68 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.427 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . . . . . . 0 N--CA 1.498 1.958 0 O-C-N 124.45 1.094 . . . . 0.0 108.741 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.6 m -123.42 2.12 9.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.774 1.296 . . . . 0.0 113.089 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.829 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HE ' ' HB3' ' A' ' 4' ' ' CYS . 2.7 mtt85 . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 50.71 0.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.568 1.175 . . . . 0.0 109.782 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -75.57 23.86 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.989 -1.46 . . . . 0.0 114.265 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.8 -21.98 43.65 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.009 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.568 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 4.0 m-20 -76.9 145.11 38.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.706 0.629 . . . . 0.0 112.196 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.01 -8.28 28.89 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.817 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.39 21.57 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.369 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 14.2 m -86.46 -40.65 15.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 123.999 0.812 . . . . 0.0 109.881 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 N--CA 1.5 2.048 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 mtm . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 122.04 0.924 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -54.06 -36.12 62.77 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 113.554 -1.657 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -53.49 -36.03 61.23 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.74 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 89.5 m -90.69 -44.83 9.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.799 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.399 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.24 -6.38 56.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.033 0.833 . . . . 0.0 111.367 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -134.71 -58.37 0.82 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.3 m 50.69 25.03 1.89 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.362 1.039 . . . . 0.0 112.231 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -79.88 -25.92 40.48 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.302 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.11 156.49 37.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.909 0.755 . . . . 0.0 111.675 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -64.07 -55.71 20.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -65.07 -16.04 63.02 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.8 m -92.42 -3.55 55.07 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.355 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 mmm . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -49.15 -54.4 16.51 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.391 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.72 -28.75 70.17 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 12.9 m -97.58 22.15 9.34 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.67 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.047 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.1 m -79.98 -4.67 53.51 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.497 1.903 0 C-N-CA 118.551 -1.26 . . . . 0.0 108.239 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -135.82 -65.99 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.012 -1.449 . . . . 0.0 108.98 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.0 m 52.92 13.59 0.37 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.419 1.075 . . . . 0.0 113.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -35.2 37.27 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.493 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.49 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -63.58 143.96 57.4 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.861 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.67 -35.58 78.38 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -56.52 -18.7 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.88 -1.509 . . . . 0.0 113.276 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.0 m -84.29 -4.17 58.69 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.4 mtp . . . . . 0 N--CA 1.497 1.887 0 CA-C-O 122.94 1.352 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -58.99 -27.4 65.37 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.113 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -54.2 -35.77 62.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 123.619 0.574 . . . . 0.0 111.833 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 m -80.17 -44.25 20.17 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.236 -1.364 . . . . 0.0 111.489 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.51 9.72 17.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.781 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -65.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.782 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 54.35 9.88 0.28 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.72 1.262 . . . . 0.0 113.135 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -80.04 -35.99 36.39 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.62 129.6 40.1 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -59.05 -12.74 5.18 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.549 0.531 . . . . 0.0 111.74 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -70.69 -31.46 68.35 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.259 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -11.47 37.04 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 123.747 0.654 . . . . 0.0 112.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.932 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.124 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -40.24 24.03 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -62.69 -12.57 24.44 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -119.67 -44.9 2.52 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 116.481 -1.724 . . . . 0.0 109.503 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.48 -4.01 49.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 120.647 0.26 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LYS . 27.0 tptt -126.14 48.24 2.14 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -66.84 8.88 0.22 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.673 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 9' ' ' LYS . 3.3 ttmm -79.36 -25.4 42.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -86.79 126.81 34.86 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -55.09 -24.55 26.15 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.942 0.776 . . . . 0.0 111.297 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 ttp85 -57.8 -34.03 69.19 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.258 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.51 25.44 11.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 124.006 0.816 . . . . 0.0 112.136 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.921 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.147 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.502 2.169 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -55.86 -52.01 65.55 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 p -61.47 -19.87 62.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 123.871 0.732 . . . . 0.0 112.065 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -116.71 21.91 13.07 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 124.192 0.932 . . . . 0.0 110.809 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.617 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.99 -0.29 34.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.97 0.794 . . . . 0.0 111.517 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -79.75 -64.69 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.045 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m 51.01 20.93 0.89 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 124.351 1.032 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -79.64 -47.62 15.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.05 133.45 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.473 1.108 . . . . 0.0 109.842 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -53.67 -27.7 29.17 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.045 0.841 . . . . 0.0 110.455 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -54.86 -31.76 59.97 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.37 13.24 24.28 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp . . . . . 0 N--CA 1.496 1.838 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.464 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.8 mmm . . . . . 0 N--CA 1.503 2.209 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -50.61 61.81 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 124.624 1.202 . . . . 0.0 112.05 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 p -58.8 -27.44 65.05 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m -108.14 32.24 4.93 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 124.298 0.999 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 115.816 -2.04 . . . . 0.0 109.669 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.16 8.49 8.67 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.236 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 37.6 mtt85 . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -56.3 4.29 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' ARG . 64.1 m 43.07 22.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.1 1.5 . . . . 0.0 114.958 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -31.76 13.24 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.97 139.77 43.19 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.004 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -68.32 -1.4 6.25 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -89.86 -38.37 13.78 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.622 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.55 -39.83 16.97 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.501 2.093 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -52.03 -23.23 4.89 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -18.03 64.06 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.65 -42.82 2.61 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 116.435 -1.745 . . . . 0.0 110.257 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.245 0.545 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.6 m -105.45 -8.98 17.78 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.749 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.58 0.705 . . . . 0.0 112.708 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -85.53 47.39 1.42 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.537 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 89.5 m -80.25 59.87 3.53 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.721 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -128.78 -25.3 2.85 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.235 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.607 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.6 m-20 -74.6 145.92 42.93 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.601 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -64.72 -14.14 57.45 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 121.526 0.679 . . . . 0.0 109.454 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.17 -22.46 58.03 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -92.56 -25.34 18.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.007 0.817 . . . . 0.0 112.906 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.663 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -58.73 -28.74 66.14 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.98 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -61.93 -31.02 71.3 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -99.29 -46.39 5.54 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 123.994 0.809 . . . . 0.0 109.876 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -80.52 -11.74 59.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.803 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -111.05 -72.01 0.74 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.775 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 50.94 16.25 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 124.525 1.141 . . . . 0.0 114.032 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -79.9 -20.39 45.93 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.21 140.09 31.15 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.351 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.88 -27.46 69.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.026 0.828 . . . . 0.0 109.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -74.57 -32.46 62.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.256 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -94.65 7.28 46.29 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.804 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.67 179.901 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -55.04 -42.87 73.21 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.926 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.83 -32.03 73.33 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -92.25 16.81 10.74 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.778 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 116.134 -1.889 . . . . 0.0 111.323 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.253 0.073 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 97.4 m -79.15 -4.13 48.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.036 0.835 . . . . 0.0 112.515 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.802 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -110.03 -62.19 1.54 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 m 52.25 22.0 1.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 124.52 1.138 . . . . 0.0 112.88 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -84.7 -39.78 18.13 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.67 143.83 57.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.518 1.136 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.01 -21.52 65.03 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.689 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.7 -19.68 25.82 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 124.221 0.951 . . . . 0.0 108.827 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.8 m -94.79 -9.61 34.02 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.599 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.967 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 120.476 0.179 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -54.88 -44.43 74.08 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.104 0.877 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -61.26 -23.62 65.8 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.634 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 57.0 m -115.15 22.27 13.48 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.715 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 116.797 -1.573 . . . . 0.0 111.544 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.3 m -79.74 -8.42 59.23 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.5 2.073 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -121.93 -66.47 1.04 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.188 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m 55.73 26.37 9.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 124.232 0.957 . . . . 0.0 112.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -91.94 -5.05 53.83 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.734 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.486 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m-20 -105.44 147.46 28.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.522 0.514 . . . . 0.0 111.147 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -59.33 -25.97 64.64 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HE ' ' C ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -82.64 -24.57 33.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.562 1.164 . . . . 0.0 111.315 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 76.2 m -86.55 -40.92 14.75 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.773 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 O-C-N 123.956 0.785 . . . . 0.0 112.939 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.447 ' SD ' ' HA ' ' A' ' 15' ' ' CYS . 85.2 mtp . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -51.06 -29.77 13.88 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.65 2.33 22.95 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.09 -40.41 0.75 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.093 0 O-C-N 124.586 1.179 . . . . 0.0 111.671 -179.861 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.536 ' SG ' ' HG3' ' A' ' 14' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.85 -1.69 40.17 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.502 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.786 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 120.675 0.274 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.23 -54.3 3.47 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 76.8 m 52.86 18.55 1.08 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.77 1.294 . . . . 0.0 114.24 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -84.39 -38.52 20.17 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.791 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 7.0 m-20 -70.52 143.14 51.75 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.748 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.05 -10.7 15.22 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 113.851 -1.522 . . . . 0.0 111.646 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.536 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 1.9 ptm180 -86.78 -28.4 23.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 123.877 0.735 . . . . 0.0 111.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -86.39 -40.11 15.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.619 0.574 . . . . 0.0 112.006 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.837 0.827 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -46.21 -32.7 3.17 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -23.89 29.48 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -114.72 -43.01 3.18 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 116.595 -1.669 . . . . 0.0 108.635 179.848 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 t70 52.98 86.52 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.379 1.049 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.0 m -152.79 -48.73 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.707 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.9 m -79.04 -10.19 59.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 123.866 0.729 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -62.27 124.07 19.9 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -54.07 160.59 1.48 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 123.89 0.744 . . . . 0.0 112.49 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -123.18 -62.36 1.34 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.104 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 m 50.35 24.28 1.48 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 124.821 1.326 . . . . 0.0 113.522 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -80.01 -42.38 23.96 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.429 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.65 150.8 47.87 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.012 0.82 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -57.67 -58.34 8.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.12 0.888 . . . . 0.0 109.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -57.68 -17.09 13.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.64 -2.6 57.01 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 5.8 tmtt? -83.89 -46.01 12.59 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.365 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.464 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 61.1 mtp -52.73 125.96 18.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 124.446 1.091 . . . . 0.0 109.566 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -38.93 5.49 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -32.8 65.39 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -93.92 -46.91 6.96 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 116.534 -1.698 . . . . 0.0 107.415 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -165.38 19.45 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 m -112.07 -61.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.106 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -89.95 -15.78 31.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -59.53 129.28 41.19 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.799 0.687 . . . . 0.0 109.229 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -53.65 172.4 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -142.56 40.83 1.58 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.941 -1.481 . . . . 0.0 107.726 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -52.8 -2.28 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -79.5 -23.71 42.78 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.602 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -75.66 140.58 42.62 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.784 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' N ' HH21 ' A' ' 14' ' ' ARG . 89.3 mtt-85 -61.54 -13.56 22.39 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.693 HH21 ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -90.77 -23.15 20.73 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 5.4 m -87.84 -42.01 12.85 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.34 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -40.27 -46.68 2.34 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.6 mtp -45.87 132.27 9.1 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 124.546 1.154 . . . . 0.0 112.767 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -47.79 -38.27 15.39 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 p -56.27 -13.49 2.18 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -120.61 -43.54 2.48 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 116.743 -1.598 . . . . 0.0 110.839 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -141.02 -172.22 3.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -136.73 -44.33 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.453 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.82 -4.0 27.06 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.305 -1.316 . . . . 0.0 114.288 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -63.33 122.68 16.8 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.32 126.31 20.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 124.028 0.83 . . . . 0.0 110.622 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -79.96 -60.86 2.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 81.0 m 48.6 22.24 0.49 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.722 1.264 . . . . 0.0 114.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.22 -36.31 34.97 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.057 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.496 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.1 m-20 -72.12 142.86 49.15 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -12.74 33.19 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -29.45 32.58 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 2.3 m -84.36 -42.51 15.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 123.706 0.629 . . . . 0.0 111.84 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -40.38 -44.75 2.03 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.1 mmm -58.44 137.33 57.39 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.132 0.895 . . . . 0.0 112.204 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.92 -50.44 5.79 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.48 -30.28 4.99 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -99.87 -43.63 6.34 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.076 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' HB3' ' HB ' ' A' ' 5' ' ' THR . 9.1 t70 -160.88 170.76 20.0 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 m -75.15 -40.81 59.33 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.08 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 86.4 m -116.72 17.36 15.22 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 2.9 t -77.16 125.35 29.18 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -50.26 133.36 23.94 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 124.022 0.827 . . . . 0.0 112.431 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -65.17 1.04 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.119 0.887 . . . . 0.0 108.996 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 33.9 m 55.71 13.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -80.37 -13.82 58.84 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -89.98 148.1 23.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 123.752 0.658 . . . . 0.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -60.89 -18.49 56.7 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -68.73 -34.87 76.34 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.968 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -81.48 -29.58 33.63 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.45 2.87 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtp -47.56 126.85 10.54 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -60.16 -35.74 76.0 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.756 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.29 -12.66 57.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 123.724 0.64 . . . . 0.0 111.732 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 4.8 m -122.89 16.74 10.13 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.014 0.821 . . . . 0.0 109.559 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.143 0 CA-C-O 116.631 -1.652 . . . . 0.0 113.452 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -133.14 27.36 4.19 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.99 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.84 -74.22 0.51 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.226 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.06 -5.64 56.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.32 1.012 . . . . 0.0 112.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m -59.4 106.75 0.48 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 124.105 0.878 . . . . 0.0 108.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.471 ' HA ' ' C ' ' A' ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HYP . . . . . 0.471 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -58.71 170.24 0.83 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 124.196 0.935 . . . . 0.0 112.645 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -140.91 57.3 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.6 m -66.07 15.49 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.711 -1.586 . . . . 0.0 114.302 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -81.57 -32.75 32.0 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.1 m-20 -74.89 143.45 43.8 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.575 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -66.82 -10.32 46.64 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -89.48 -29.42 19.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.022 0.826 . . . . 0.0 109.451 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 11.7 m -88.11 -40.59 13.66 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.075 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 16.6 mmtt -47.2 -48.52 23.89 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.42 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtp -66.3 136.37 55.73 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.049 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -42.86 -39.4 2.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 p -55.07 -18.81 5.93 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -114.54 -44.44 3.08 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 113.721 -1.581 . . . . 0.0 108.243 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -154.61 159.57 40.93 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.417 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -81.54 -29.42 33.52 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 9.3 m -114.05 1.12 14.54 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -62.53 127.58 31.99 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 5.8 mtt85 -42.56 119.82 1.53 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.422 1.076 . . . . 0.0 113.026 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.78 31.57 1.05 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.748 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 65.6 m -67.11 13.32 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.67 -18.43 51.4 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -78.86 143.44 35.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.858 0.724 . . . . 0.0 110.037 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -60.51 -28.49 68.42 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -63.32 -24.76 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.361 0.413 . . . . 0.0 111.162 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.6 m -89.33 -27.88 20.2 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.5 -50.08 9.65 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 mmt -59.51 131.2 50.22 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 122.281 1.038 . . . . 0.0 113.432 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -61.5 -37.71 84.67 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.872 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -37.45 62.32 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.131 0.894 . . . . 0.0 111.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.53 -51.38 6.93 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.28 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 t70 70.0 58.88 0.27 Allowed 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 122.509 1.147 . . . . 0.0 108.181 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 m -154.73 -73.04 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.151 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.58 -1.76 49.75 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.775 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -58.73 111.26 1.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.53 1.143 . . . . 0.0 108.948 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -40.13 124.55 1.87 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 124.518 1.136 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -79.91 -63.93 1.3 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m 52.0 12.43 0.2 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -79.94 -32.07 40.01 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.4 m-20 -68.62 142.12 55.22 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.967 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.1 -15.12 58.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -81.98 -34.35 29.74 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 13.8 m -75.84 -45.43 35.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -46.51 50.15 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.966 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.3 mtm -62.89 135.97 57.6 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 124.455 1.097 . . . . 0.0 109.158 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -40.61 4.68 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -12.79 4.57 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -127.52 -44.45 1.54 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.464 0.477 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.192 0 CA-C-O 116.212 -1.852 . . . . 0.0 112.504 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.82 -46.64 3.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 113.657 -1.611 . . . . 0.0 108.74 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m 149.45 -48.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 O-C-N 125.675 1.859 . . . . 0.0 107.987 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.8 m -79.26 0.38 28.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 123.982 0.801 . . . . 0.0 111.264 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.86 110.71 2.96 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -54.52 164.02 0.8 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -124.72 -61.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.191 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m 50.47 26.25 2.28 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.501 1.126 . . . . 0.0 113.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -79.82 -38.86 32.01 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.481 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 m-20 -65.69 151.44 46.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 124.072 0.858 . . . . 0.0 111.67 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -64.15 -46.96 81.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.078 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -64.47 -16.9 63.25 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.484 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 92.2 m -93.73 0.86 56.59 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 123.862 0.726 . . . . 0.0 111.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 2.3 tptm -77.85 -48.76 15.69 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.647 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.452 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.9 mtp -44.46 136.87 3.97 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 124.764 1.29 . . . . 0.0 111.69 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -45.82 46.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.512 1.132 . . . . 0.0 113.495 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.93 -33.45 75.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 123.614 0.571 . . . . 0.0 110.145 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.1 m -102.22 24.79 9.68 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.427 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . . . . . . 0 N--CA 1.498 1.958 0 O-C-N 124.45 1.094 . . . . 0.0 108.741 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.84 -63.66 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.456 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.19 -37.87 56.15 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.375 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.6 m -123.42 2.12 9.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.774 1.296 . . . . 0.0 113.089 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -71.05 127.94 34.28 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HE ' ' HB3' ' A' ' 4' ' ' CYS . 2.7 mtt85 -47.26 116.56 1.44 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 124.397 1.061 . . . . 0.0 112.44 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 50.71 0.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.568 1.175 . . . . 0.0 109.782 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -75.57 23.86 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.989 -1.46 . . . . 0.0 114.265 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.8 -21.98 43.65 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.009 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.568 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 4.0 m-20 -76.9 145.11 38.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.706 0.629 . . . . 0.0 112.196 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.01 -8.28 28.89 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.817 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.39 21.57 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.369 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 14.2 m -86.46 -40.65 15.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 123.999 0.812 . . . . 0.0 109.881 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 5.2 ttpt -40.52 -48.64 2.85 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.403 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 mtm -56.6 130.76 46.56 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 122.04 0.924 . . . . 0.0 111.406 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -54.06 -36.12 62.77 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 113.554 -1.657 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -53.49 -36.03 61.23 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.74 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 89.5 m -90.69 -44.83 9.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.799 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.399 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.5 t70 47.69 41.07 13.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 124.315 1.009 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.26 -51.99 4.17 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.24 -6.38 56.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.033 0.833 . . . . 0.0 111.367 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -65.59 113.56 4.29 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -61.68 164.48 6.04 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.232 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -134.71 -58.37 0.82 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.3 m 50.69 25.03 1.89 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.362 1.039 . . . . 0.0 112.231 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -79.88 -25.92 40.48 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.302 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.11 156.49 37.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.909 0.755 . . . . 0.0 111.675 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -64.07 -55.71 20.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -65.07 -16.04 63.02 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.8 m -92.42 -3.55 55.07 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 4.0 tmtm? -71.92 -49.2 39.72 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.355 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.447 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 mmm -43.29 147.29 0.39 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -49.15 -54.4 16.51 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.391 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.72 -28.75 70.17 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 12.9 m -97.58 22.15 9.34 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.67 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.047 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.985 0.421 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.13 -178.62 5.67 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.929 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -81.36 -61.35 1.97 Allowed 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.1 m -79.98 -4.67 53.51 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -64.61 127.37 31.23 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.551 -1.26 . . . . 0.0 108.239 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -48.89 170.4 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -135.82 -65.99 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.012 -1.449 . . . . 0.0 108.98 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.0 m 52.92 13.59 0.37 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.419 1.075 . . . . 0.0 113.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -35.2 37.27 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.493 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -63.58 143.96 57.4 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.861 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.67 -35.58 78.38 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -56.52 -18.7 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.88 -1.509 . . . . 0.0 113.276 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.0 m -84.29 -4.17 58.69 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 93.1 mttt -56.17 -41.82 76.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.431 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.4 mtp -63.02 110.27 1.75 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 122.94 1.352 . . . . 0.0 111.995 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -58.99 -27.4 65.37 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.113 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -54.2 -35.77 62.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 123.619 0.574 . . . . 0.0 111.833 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 m -80.17 -44.25 20.17 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.236 -1.364 . . . . 0.0 111.489 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.85 -168.35 1.81 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.159 0.912 . . . . 0.0 110.643 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.5 -51.41 65.65 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.942 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.51 9.72 17.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -70.24 113.32 7.3 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.781 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.464 ' HA ' ' N ' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HYP . . . . . 0.44 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' N ' ' HA ' ' A' ' 6' ' ' HYP . 46.5 mtt85 -48.37 141.21 6.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.336 1.023 . . . . 0.0 113.169 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -65.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.782 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 54.35 9.88 0.28 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.72 1.262 . . . . 0.0 113.135 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -80.04 -35.99 36.39 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.62 129.6 40.1 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -59.05 -12.74 5.18 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.549 0.531 . . . . 0.0 111.74 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -70.69 -31.46 68.35 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.259 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -11.47 37.04 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 123.747 0.654 . . . . 0.0 112.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -46.83 38.78 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.932 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.52 133.42 5.76 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -40.24 24.03 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -62.69 -12.57 24.44 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -119.67 -44.9 2.52 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 116.481 -1.724 . . . . 0.0 109.503 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.42 -167.59 1.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.61 -56.37 16.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.696 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.48 -4.01 49.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -63.7 113.19 3.21 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.445 ' HA ' ' C ' ' A' ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HYP . . . . . 0.445 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.41 161.64 4.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 123.524 0.515 . . . . 0.0 111.497 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LYS . 27.0 tptt -126.14 48.24 2.14 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -66.84 8.88 0.22 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.673 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 9' ' ' LYS . 3.3 ttmm -79.36 -25.4 42.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -86.79 126.81 34.86 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -55.09 -24.55 26.15 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.942 0.776 . . . . 0.0 111.297 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 ttp85 -57.8 -34.03 69.19 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.258 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.51 25.44 11.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 124.006 0.816 . . . . 0.0 112.136 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -72.19 -49.26 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.147 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.453 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -46.32 152.88 0.39 Allowed 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -55.86 -52.01 65.55 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 p -61.47 -19.87 62.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 123.871 0.732 . . . . 0.0 112.065 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -116.71 21.91 13.07 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 124.192 0.932 . . . . 0.0 110.809 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.617 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.81 24.76 4.66 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-O 121.788 0.804 . . . . 0.0 111.21 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.73 -59.28 2.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 108.181 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.99 -0.29 34.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.97 0.794 . . . . 0.0 111.517 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -63.79 131.86 49.14 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -48.72 118.06 2.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 124.088 0.867 . . . . 0.0 112.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -79.75 -64.69 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.045 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m 51.01 20.93 0.89 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 124.351 1.032 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -79.64 -47.62 15.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.05 133.45 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.473 1.108 . . . . 0.0 109.842 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -53.67 -27.7 29.17 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.045 0.841 . . . . 0.0 110.455 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -54.86 -31.76 59.97 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.37 13.24 24.28 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 18.4 mtpp -66.42 -43.97 84.2 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.464 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.47 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.8 mmm -46.64 143.66 2.62 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -50.61 61.81 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 124.624 1.202 . . . . 0.0 112.05 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 p -58.8 -27.44 65.05 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m -108.14 32.24 4.93 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 124.298 0.999 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 115.816 -2.04 . . . . 0.0 109.669 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.769 0.318 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.26 43.28 18.84 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 122.337 1.065 . . . . 0.0 111.942 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -82.24 -68.42 0.7 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.213 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.16 8.49 8.67 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.236 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t -64.73 133.95 53.16 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 37.6 mtt85 -49.77 139.01 13.74 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -56.3 4.29 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' ARG . 64.1 m 43.07 22.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.1 1.5 . . . . 0.0 114.958 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -31.76 13.24 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.97 139.77 43.19 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.004 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -68.32 -1.4 6.25 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -89.86 -38.37 13.78 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.622 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.55 -39.83 16.97 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -47.13 11.3 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.7 mtp -54.26 131.5 41.75 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -52.03 -23.23 4.89 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -18.03 64.06 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.65 -42.82 2.61 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 116.435 -1.745 . . . . 0.0 110.257 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.81 98.94 2.24 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.189 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -152.0 -42.96 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.6 m -105.45 -8.98 17.78 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -64.59 135.5 56.02 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.749 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -39.66 111.42 0.19 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.487 1.117 . . . . 0.0 112.708 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -85.53 47.39 1.42 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.537 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 89.5 m -80.25 59.87 3.53 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.721 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -128.78 -25.3 2.85 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.235 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.607 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.6 m-20 -74.6 145.92 42.93 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.601 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -64.72 -14.14 57.45 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 121.526 0.679 . . . . 0.0 109.454 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.17 -22.46 58.03 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -92.56 -25.34 18.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.007 0.817 . . . . 0.0 112.906 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 3.3 mmtt -48.31 -39.48 21.95 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.663 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.481 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.4 mmm -52.89 126.07 19.1 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -58.73 -28.74 66.14 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.98 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -61.93 -31.02 71.3 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -99.29 -46.39 5.54 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 123.994 0.809 . . . . 0.0 109.876 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -156.72 171.1 20.96 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.742 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.74 -41.33 7.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 124.058 0.849 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -80.52 -11.74 59.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 t -58.15 130.11 45.11 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -51.08 164.5 0.16 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -111.05 -72.01 0.74 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.775 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 50.94 16.25 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 124.525 1.141 . . . . 0.0 114.032 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -79.9 -20.39 45.93 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.21 140.09 31.15 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.351 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.88 -27.46 69.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.026 0.828 . . . . 0.0 109.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -74.57 -32.46 62.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.256 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -94.65 7.28 46.29 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.804 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 10.7 ttmt -77.69 -48.25 17.2 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.67 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.456 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.1 138.48 1.1 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 124.645 1.215 . . . . 0.0 113.571 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -55.04 -42.87 73.21 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.926 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.83 -32.03 73.33 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -92.25 16.81 10.74 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.778 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 116.134 -1.889 . . . . 0.0 111.323 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' HG3' ' H ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.952 0.406 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.24 -0.74 3.28 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.762 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -91.79 -46.64 7.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 123.98 0.8 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 1' ' ' ARG . 97.4 m -79.15 -4.13 48.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.036 0.835 . . . . 0.0 112.515 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -67.02 125.27 25.48 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -56.95 159.53 4.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 123.791 0.682 . . . . 0.0 112.237 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -110.03 -62.19 1.54 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 m 52.25 22.0 1.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 124.52 1.138 . . . . 0.0 112.88 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -84.7 -39.78 18.13 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.67 143.83 57.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.518 1.136 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.01 -21.52 65.03 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.689 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.7 -19.68 25.82 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 124.221 0.951 . . . . 0.0 108.827 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.8 m -94.79 -9.61 34.02 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.599 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 9.7 mmtp -77.77 -46.42 21.71 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.967 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.49 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.4 ' SD ' ' HD3' ' A' ' 1' ' ' ARG . 0.8 OUTLIER -50.05 145.12 6.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.851 1.344 . . . . 0.0 110.932 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -54.88 -44.43 74.08 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.104 0.877 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -61.26 -23.62 65.8 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.634 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 57.0 m -115.15 22.27 13.48 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.715 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 116.797 -1.573 . . . . 0.0 111.544 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 1' ' ' ARG . 7.6 tpm_? . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 122.301 1.048 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.38 177.35 4.94 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-N 113.449 -1.705 . . . . 0.0 107.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.14 -35.63 79.37 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 119.366 -0.933 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.3 m -79.74 -8.42 59.23 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m -62.41 105.39 0.61 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HYP . . . . . 0.544 ' HA ' ' C ' ' A' ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HYP . . . . . 0.544 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -61.18 170.59 1.61 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.123 -0.944 . . . . 0.0 113.267 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -121.93 -66.47 1.04 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.188 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m 55.73 26.37 9.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 124.232 0.957 . . . . 0.0 112.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -91.94 -5.05 53.83 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.734 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m-20 -105.44 147.46 28.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.522 0.514 . . . . 0.0 111.147 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -59.33 -25.97 64.64 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HE ' ' C ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -82.64 -24.57 33.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.562 1.164 . . . . 0.0 111.315 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 76.2 m -86.55 -40.92 14.75 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.773 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.0 OUTLIER -42.17 -49.09 4.91 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.956 0.785 . . . . 0.0 112.939 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.419 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.447 ' SD ' ' HA ' ' A' ' 15' ' ' CYS . 85.2 mtp -47.67 144.91 2.98 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 124.197 0.936 . . . . 0.0 110.236 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -51.06 -29.77 13.88 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.65 2.33 22.95 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.09 -40.41 0.75 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.093 0 O-C-N 124.586 1.179 . . . . 0.0 111.671 -179.861 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.97 69.25 1.36 Allowed 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.536 ' SG ' ' HG3' ' A' ' 14' ' ' ARG . 1.7 m -161.15 -74.9 0.06 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 113.24 -1.8 . . . . 0.0 109.633 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.85 -1.69 40.17 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.502 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 t -65.89 129.68 40.64 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 123.761 0.663 . . . . 0.0 111.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.23 -54.3 3.47 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 76.8 m 52.86 18.55 1.08 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.77 1.294 . . . . 0.0 114.24 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -84.39 -38.52 20.17 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.791 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 7.0 m-20 -70.52 143.14 51.75 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.748 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.05 -10.7 15.22 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 113.851 -1.522 . . . . 0.0 111.646 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.536 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 1.9 ptm180 -86.78 -28.4 23.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 123.877 0.735 . . . . 0.0 111.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -86.39 -40.11 15.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.619 0.574 . . . . 0.0 112.006 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.08 -42.35 18.64 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 133.07 50.95 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.076 0.86 . . . . 0.0 110.24 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -46.21 -32.7 3.17 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -23.89 29.48 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -114.72 -43.01 3.18 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 116.595 -1.669 . . . . 0.0 108.635 179.848 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.9 m -79.04 -10.19 59.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 123.866 0.729 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 121.319 0.58 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -123.18 -62.36 1.34 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.104 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 m 50.35 24.28 1.48 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 124.821 1.326 . . . . 0.0 113.522 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -80.01 -42.38 23.96 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.429 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.65 150.8 47.87 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.012 0.82 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -57.67 -58.34 8.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.12 0.888 . . . . 0.0 109.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -57.68 -17.09 13.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.64 -2.6 57.01 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.365 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 61.1 mtp . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -38.93 5.49 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -32.8 65.39 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -93.92 -46.91 6.96 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 116.534 -1.698 . . . . 0.0 107.415 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.493 1.725 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -89.95 -15.78 31.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.495 1.813 0 O-C-N 123.799 0.687 . . . . 0.0 109.229 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 . . . . . 0 N--CA 1.498 1.952 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -142.56 40.83 1.58 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.941 -1.481 . . . . 0.0 107.726 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -52.8 -2.28 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -79.5 -23.71 42.78 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.602 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -75.66 140.58 42.62 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.784 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' N ' HH21 ' A' ' 14' ' ' ARG . 89.3 mtt-85 -61.54 -13.56 22.39 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.693 HH21 ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -90.77 -23.15 20.73 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 5.4 m -87.84 -42.01 12.85 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.34 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm . . . . . 0 N--CA 1.503 2.214 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.6 mtp . . . . . 0 N--CA 1.506 2.357 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -47.79 -38.27 15.39 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 p -56.27 -13.49 2.18 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -120.61 -43.54 2.48 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 116.743 -1.598 . . . . 0.0 110.839 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.82 -4.0 27.06 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.305 -1.316 . . . . 0.0 114.288 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 110.622 -0.14 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -79.96 -60.86 2.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 81.0 m 48.6 22.24 0.49 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.722 1.264 . . . . 0.0 114.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.22 -36.31 34.97 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.057 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.496 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.1 m-20 -72.12 142.86 49.15 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -12.74 33.19 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -29.45 32.58 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 2.3 m -84.36 -42.51 15.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 123.706 0.629 . . . . 0.0 111.84 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt . . . . . 0 N--CA 1.5 2.069 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 121.622 0.725 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.92 -50.44 5.79 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.48 -30.28 4.99 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -99.87 -43.63 6.34 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.076 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 86.4 m -116.72 17.36 15.22 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -65.17 1.04 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.119 0.887 . . . . 0.0 108.996 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 33.9 m 55.71 13.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -80.37 -13.82 58.84 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -89.98 148.1 23.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 123.752 0.658 . . . . 0.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -60.89 -18.49 56.7 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -68.73 -34.87 76.34 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.968 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -81.48 -29.58 33.63 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtp . . . . . 0 N--CA 1.501 2.09 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -60.16 -35.74 76.0 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.756 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.29 -12.66 57.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 123.724 0.64 . . . . 0.0 111.732 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 4.8 m -122.89 16.74 10.13 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.014 0.821 . . . . 0.0 109.559 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.143 0 CA-C-O 116.631 -1.652 . . . . 0.0 113.452 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.06 -5.64 56.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.32 1.012 . . . . 0.0 112.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.496 1.87 0 O-C-N 124.105 0.878 . . . . 0.0 108.913 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -140.91 57.3 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.6 m -66.07 15.49 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.711 -1.586 . . . . 0.0 114.302 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -81.57 -32.75 32.0 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.1 m-20 -74.89 143.45 43.8 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.575 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -66.82 -10.32 46.64 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -89.48 -29.42 19.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.022 0.826 . . . . 0.0 109.451 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 11.7 m -88.11 -40.59 13.66 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.075 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt . . . . . 0 N--CA 1.499 1.987 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.651 0.739 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -42.86 -39.4 2.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 p -55.07 -18.81 5.93 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -114.54 -44.44 3.08 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 113.721 -1.581 . . . . 0.0 108.243 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 9.3 m -114.05 1.12 14.54 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 5.8 mtt85 . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.78 31.57 1.05 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.748 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 65.6 m -67.11 13.32 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.67 -18.43 51.4 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -78.86 143.44 35.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.858 0.724 . . . . 0.0 110.037 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -60.51 -28.49 68.42 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -63.32 -24.76 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.361 0.413 . . . . 0.0 111.162 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.6 m -89.33 -27.88 20.2 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 122.281 1.038 . . . . 0.0 113.432 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -61.5 -37.71 84.67 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.872 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -37.45 62.32 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.131 0.894 . . . . 0.0 111.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.53 -51.38 6.93 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.28 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.58 -1.76 49.75 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.775 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.493 1.708 0 O-C-N 124.53 1.143 . . . . 0.0 108.948 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -79.91 -63.93 1.3 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m 52.0 12.43 0.2 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -79.94 -32.07 40.01 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.4 m-20 -68.62 142.12 55.22 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.967 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.1 -15.12 58.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -81.98 -34.35 29.74 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 13.8 m -75.84 -45.43 35.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.038 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.966 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.3 mtm . . . . . 0 N--CA 1.501 2.082 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -40.61 4.68 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -12.79 4.57 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -127.52 -44.45 1.54 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.464 0.477 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.192 0 CA-C-O 116.212 -1.852 . . . . 0.0 112.504 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.506 2.343 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.8 m -79.26 0.38 28.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 123.982 0.801 . . . . 0.0 111.264 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -124.72 -61.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.191 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m 50.47 26.25 2.28 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.501 1.126 . . . . 0.0 113.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -79.82 -38.86 32.01 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.481 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 m-20 -65.69 151.44 46.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 124.072 0.858 . . . . 0.0 111.67 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -64.15 -46.96 81.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.078 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -64.47 -16.9 63.25 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.484 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 92.2 m -93.73 0.86 56.59 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 123.862 0.726 . . . . 0.0 111.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptm . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.647 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.9 mtp . . . . . 0 N--CA 1.501 2.081 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -45.82 46.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.512 1.132 . . . . 0.0 113.495 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.93 -33.45 75.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 123.614 0.571 . . . . 0.0 110.145 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.1 m -102.22 24.79 9.68 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.427 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . . . . . . 0 N--CA 1.498 1.958 0 O-C-N 124.45 1.094 . . . . 0.0 108.741 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.6 m -123.42 2.12 9.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.774 1.296 . . . . 0.0 113.089 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.829 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HE ' ' HB3' ' A' ' 4' ' ' CYS . 2.7 mtt85 . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 50.71 0.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.568 1.175 . . . . 0.0 109.782 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -75.57 23.86 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.989 -1.46 . . . . 0.0 114.265 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.8 -21.98 43.65 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.009 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.568 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 4.0 m-20 -76.9 145.11 38.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.706 0.629 . . . . 0.0 112.196 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.01 -8.28 28.89 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.817 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.39 21.57 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.369 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 14.2 m -86.46 -40.65 15.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 123.999 0.812 . . . . 0.0 109.881 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt . . . . . 0 N--CA 1.5 2.048 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 mtm . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 122.04 0.924 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -54.06 -36.12 62.77 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 113.554 -1.657 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -53.49 -36.03 61.23 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.74 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 89.5 m -90.69 -44.83 9.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.799 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.399 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.24 -6.38 56.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.033 0.833 . . . . 0.0 111.367 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -134.71 -58.37 0.82 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.3 m 50.69 25.03 1.89 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.362 1.039 . . . . 0.0 112.231 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -79.88 -25.92 40.48 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.302 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.11 156.49 37.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.909 0.755 . . . . 0.0 111.675 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -64.07 -55.71 20.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -65.07 -16.04 63.02 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.8 m -92.42 -3.55 55.07 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.355 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 mmm . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -49.15 -54.4 16.51 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.391 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.72 -28.75 70.17 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 12.9 m -97.58 22.15 9.34 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.67 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.047 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.1 m -79.98 -4.67 53.51 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.497 1.903 0 C-N-CA 118.551 -1.26 . . . . 0.0 108.239 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -135.82 -65.99 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.012 -1.449 . . . . 0.0 108.98 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.0 m 52.92 13.59 0.37 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.419 1.075 . . . . 0.0 113.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -35.2 37.27 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.493 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.49 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -63.58 143.96 57.4 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.861 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.67 -35.58 78.38 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -56.52 -18.7 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.88 -1.509 . . . . 0.0 113.276 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.0 m -84.29 -4.17 58.69 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.4 mtp . . . . . 0 N--CA 1.497 1.887 0 CA-C-O 122.94 1.352 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -58.99 -27.4 65.37 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.113 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -54.2 -35.77 62.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 123.619 0.574 . . . . 0.0 111.833 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 m -80.17 -44.25 20.17 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.236 -1.364 . . . . 0.0 111.489 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.51 9.72 17.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.781 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.5 mtt85 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -65.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.782 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 54.35 9.88 0.28 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.72 1.262 . . . . 0.0 113.135 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -80.04 -35.99 36.39 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.62 129.6 40.1 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -59.05 -12.74 5.18 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.549 0.531 . . . . 0.0 111.74 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -70.69 -31.46 68.35 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.259 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -11.47 37.04 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 123.747 0.654 . . . . 0.0 112.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.932 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.124 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -40.24 24.03 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -62.69 -12.57 24.44 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -119.67 -44.9 2.52 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 116.481 -1.724 . . . . 0.0 109.503 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.48 -4.01 49.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 120.647 0.26 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LYS . 27.0 tptt -126.14 48.24 2.14 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -66.84 8.88 0.22 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.673 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 9' ' ' LYS . 3.3 ttmm -79.36 -25.4 42.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -86.79 126.81 34.86 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -55.09 -24.55 26.15 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.942 0.776 . . . . 0.0 111.297 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 ttp85 -57.8 -34.03 69.19 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.258 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.51 25.44 11.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 124.006 0.816 . . . . 0.0 112.136 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.921 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.147 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.502 2.169 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -55.86 -52.01 65.55 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 p -61.47 -19.87 62.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 123.871 0.732 . . . . 0.0 112.065 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -116.71 21.91 13.07 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 124.192 0.932 . . . . 0.0 110.809 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.617 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.99 -0.29 34.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.97 0.794 . . . . 0.0 111.517 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -79.75 -64.69 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.045 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m 51.01 20.93 0.89 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 124.351 1.032 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -79.64 -47.62 15.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.05 133.45 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.473 1.108 . . . . 0.0 109.842 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -53.67 -27.7 29.17 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.045 0.841 . . . . 0.0 110.455 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -54.86 -31.76 59.97 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.37 13.24 24.28 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp . . . . . 0 N--CA 1.496 1.838 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.464 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.8 mmm . . . . . 0 N--CA 1.503 2.209 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -50.61 61.81 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 124.624 1.202 . . . . 0.0 112.05 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 p -58.8 -27.44 65.05 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m -108.14 32.24 4.93 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 124.298 0.999 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 115.816 -2.04 . . . . 0.0 109.669 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.16 8.49 8.67 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.236 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 37.6 mtt85 . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -56.3 4.29 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' ARG . 64.1 m 43.07 22.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.1 1.5 . . . . 0.0 114.958 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -31.76 13.24 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.97 139.77 43.19 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.004 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -68.32 -1.4 6.25 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -89.86 -38.37 13.78 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.622 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.55 -39.83 16.97 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.501 2.093 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -52.03 -23.23 4.89 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -18.03 64.06 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.65 -42.82 2.61 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 116.435 -1.745 . . . . 0.0 110.257 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.245 0.545 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.6 m -105.45 -8.98 17.78 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.749 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.58 0.705 . . . . 0.0 112.708 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -85.53 47.39 1.42 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.537 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 89.5 m -80.25 59.87 3.53 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.721 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -128.78 -25.3 2.85 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.235 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.607 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.6 m-20 -74.6 145.92 42.93 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.601 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -64.72 -14.14 57.45 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 121.526 0.679 . . . . 0.0 109.454 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.17 -22.46 58.03 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -92.56 -25.34 18.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.007 0.817 . . . . 0.0 112.906 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.663 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -58.73 -28.74 66.14 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.98 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -61.93 -31.02 71.3 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -99.29 -46.39 5.54 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 123.994 0.809 . . . . 0.0 109.876 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -80.52 -11.74 59.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.803 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -111.05 -72.01 0.74 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.775 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 50.94 16.25 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 124.525 1.141 . . . . 0.0 114.032 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -79.9 -20.39 45.93 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.21 140.09 31.15 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.351 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.88 -27.46 69.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.026 0.828 . . . . 0.0 109.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -74.57 -32.46 62.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.256 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -94.65 7.28 46.29 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.804 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.67 179.901 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -55.04 -42.87 73.21 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.926 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.83 -32.03 73.33 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -92.25 16.81 10.74 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.778 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 116.134 -1.889 . . . . 0.0 111.323 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.253 0.073 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 97.4 m -79.15 -4.13 48.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.036 0.835 . . . . 0.0 112.515 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.802 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -110.03 -62.19 1.54 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 m 52.25 22.0 1.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 124.52 1.138 . . . . 0.0 112.88 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -84.7 -39.78 18.13 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.67 143.83 57.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.518 1.136 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.01 -21.52 65.03 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.689 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.7 -19.68 25.82 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 124.221 0.951 . . . . 0.0 108.827 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.8 m -94.79 -9.61 34.02 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.599 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.967 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 120.476 0.179 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -54.88 -44.43 74.08 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.104 0.877 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -61.26 -23.62 65.8 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.634 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 57.0 m -115.15 22.27 13.48 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.715 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 116.797 -1.573 . . . . 0.0 111.544 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.3 m -79.74 -8.42 59.23 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.5 2.073 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -121.93 -66.47 1.04 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.188 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m 55.73 26.37 9.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 124.232 0.957 . . . . 0.0 112.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -91.94 -5.05 53.83 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.734 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.486 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m-20 -105.44 147.46 28.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.522 0.514 . . . . 0.0 111.147 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -59.33 -25.97 64.64 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' C ' ' HE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -82.64 -24.57 33.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.562 1.164 . . . . 0.0 111.315 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 76.2 m -86.55 -40.92 14.75 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.773 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 O-C-N 123.956 0.785 . . . . 0.0 112.939 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.447 ' SD ' ' HA ' ' A' ' 15' ' ' CYS . 85.2 mtp . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -51.06 -29.77 13.88 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.65 2.33 22.95 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.09 -40.41 0.75 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.093 0 O-C-N 124.586 1.179 . . . . 0.0 111.671 -179.861 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.536 ' SG ' ' HG3' ' A' ' 14' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.85 -1.69 40.17 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.502 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.786 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 120.675 0.274 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.23 -54.3 3.47 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 76.8 m 52.86 18.55 1.08 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.77 1.294 . . . . 0.0 114.24 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -84.39 -38.52 20.17 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.791 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 7.0 m-20 -70.52 143.14 51.75 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.748 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.05 -10.7 15.22 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 113.851 -1.522 . . . . 0.0 111.646 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.536 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 1.9 ptm180 -86.78 -28.4 23.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 123.877 0.735 . . . . 0.0 111.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -86.39 -40.11 15.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.619 0.574 . . . . 0.0 112.006 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.837 0.827 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -46.21 -32.7 3.17 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -23.89 29.48 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -114.72 -43.01 3.18 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 116.595 -1.669 . . . . 0.0 108.635 179.848 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 t70 52.98 86.52 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.379 1.049 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.0 m -152.79 -48.73 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.707 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.9 m -79.04 -10.19 59.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 123.866 0.729 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -62.27 124.07 19.9 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -54.07 160.59 1.48 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 123.89 0.744 . . . . 0.0 112.49 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -123.18 -62.36 1.34 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.104 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 m 50.35 24.28 1.48 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 124.821 1.326 . . . . 0.0 113.522 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -80.01 -42.38 23.96 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.429 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.65 150.8 47.87 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 124.012 0.82 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -57.67 -58.34 8.74 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.12 0.888 . . . . 0.0 109.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -57.68 -17.09 13.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.64 -2.6 57.01 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 5.8 tmtt? -83.89 -46.01 12.59 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.365 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.464 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 61.1 mtp -52.73 125.96 18.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 124.446 1.091 . . . . 0.0 109.566 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.11 -38.93 5.49 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -32.8 65.39 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -93.92 -46.91 6.96 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 116.534 -1.698 . . . . 0.0 107.415 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 106.083 -1.821 . . . . 0.0 106.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -165.38 19.45 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 m -112.07 -61.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.106 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -89.95 -15.78 31.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -59.53 129.28 41.19 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.799 0.687 . . . . 0.0 109.229 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -53.65 172.4 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -142.56 40.83 1.58 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.941 -1.481 . . . . 0.0 107.726 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -52.8 -2.28 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -79.5 -23.71 42.78 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.602 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -75.66 140.58 42.62 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.784 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' N ' HH21 ' A' ' 14' ' ' ARG . 89.3 mtt-85 -61.54 -13.56 22.39 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.693 HH21 ' H ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -90.77 -23.15 20.73 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 5.4 m -87.84 -42.01 12.85 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.34 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -40.27 -46.68 2.34 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.6 mtp -45.87 132.27 9.1 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 124.546 1.154 . . . . 0.0 112.767 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -47.79 -38.27 15.39 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 p -56.27 -13.49 2.18 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.9 m -120.61 -43.54 2.48 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 116.743 -1.598 . . . . 0.0 110.839 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -141.02 -172.22 3.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.645 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -136.73 -44.33 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.453 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.82 -4.0 27.06 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.305 -1.316 . . . . 0.0 114.288 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -63.33 122.68 16.8 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.32 126.31 20.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 124.028 0.83 . . . . 0.0 110.622 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -79.96 -60.86 2.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 81.0 m 48.6 22.24 0.49 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.722 1.264 . . . . 0.0 114.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.22 -36.31 34.97 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.057 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.496 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.1 m-20 -72.12 142.86 49.15 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -12.74 33.19 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -29.45 32.58 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 2.3 m -84.36 -42.51 15.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 123.706 0.629 . . . . 0.0 111.84 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -40.38 -44.75 2.03 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.1 mmm -58.44 137.33 57.39 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 124.132 0.895 . . . . 0.0 112.204 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.92 -50.44 5.79 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.48 -30.28 4.99 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -99.87 -43.63 6.34 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.076 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' HB3' ' HB ' ' A' ' 5' ' ' THR . 9.1 t70 -160.88 170.76 20.0 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.2 m -75.15 -40.81 59.33 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.08 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 86.4 m -116.72 17.36 15.22 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 2.9 t -77.16 125.35 29.18 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -50.26 133.36 23.94 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 124.022 0.827 . . . . 0.0 112.431 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 -65.17 1.04 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.119 0.887 . . . . 0.0 108.996 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 33.9 m 55.71 13.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -80.37 -13.82 58.84 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -89.98 148.1 23.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 123.752 0.658 . . . . 0.0 111.598 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -60.89 -18.49 56.7 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -68.73 -34.87 76.34 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.968 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -81.48 -29.58 33.63 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.45 2.87 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 68.8 mtp -47.56 126.85 10.54 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -60.16 -35.74 76.0 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.756 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 p -66.29 -12.66 57.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 123.724 0.64 . . . . 0.0 111.732 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.671 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 4.8 m -122.89 16.74 10.13 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.014 0.821 . . . . 0.0 109.559 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.143 0 CA-C-O 116.631 -1.652 . . . . 0.0 113.452 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -133.14 27.36 4.19 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.99 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.84 -74.22 0.51 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.226 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.06 -5.64 56.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.32 1.012 . . . . 0.0 112.513 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m -59.4 106.75 0.48 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 124.105 0.878 . . . . 0.0 108.913 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.471 ' HA ' ' C ' ' A' ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . 0.471 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -58.71 170.24 0.83 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 124.196 0.935 . . . . 0.0 112.645 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -140.91 57.3 1.56 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.6 m -66.07 15.49 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.711 -1.586 . . . . 0.0 114.302 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -81.57 -32.75 32.0 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.1 m-20 -74.89 143.45 43.8 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.575 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -66.82 -10.32 46.64 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -89.48 -29.42 19.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.022 0.826 . . . . 0.0 109.451 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 11.7 m -88.11 -40.59 13.66 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.075 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 16.6 mmtt -47.2 -48.52 23.89 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.42 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtp -66.3 136.37 55.73 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.049 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -42.86 -39.4 2.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 p -55.07 -18.81 5.93 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -114.54 -44.44 3.08 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 113.721 -1.581 . . . . 0.0 108.243 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -154.61 159.57 40.93 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.417 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -81.54 -29.42 33.52 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 9.3 m -114.05 1.12 14.54 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -62.53 127.58 31.99 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 5.8 mtt85 -42.56 119.82 1.53 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 124.422 1.076 . . . . 0.0 113.026 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.78 31.57 1.05 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.748 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 65.6 m -67.11 13.32 0.06 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -79.67 -18.43 51.4 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -78.86 143.44 35.94 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 123.858 0.724 . . . . 0.0 110.037 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -60.51 -28.49 68.42 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -63.32 -24.76 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 123.361 0.413 . . . . 0.0 111.162 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.6 m -89.33 -27.88 20.2 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.5 -50.08 9.65 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 mmt -59.51 131.2 50.22 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 122.281 1.038 . . . . 0.0 113.432 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -61.5 -37.71 84.67 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.872 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -37.45 62.32 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 124.131 0.894 . . . . 0.0 111.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.53 -51.38 6.93 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.28 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 t70 70.0 58.88 0.27 Allowed 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 122.509 1.147 . . . . 0.0 108.181 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.0 m -154.73 -73.04 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.151 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -95.58 -1.76 49.75 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.775 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -58.73 111.26 1.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.53 1.143 . . . . 0.0 108.948 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 mtt85 -40.13 124.55 1.87 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 124.518 1.136 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -79.91 -63.93 1.3 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m 52.0 12.43 0.2 Allowed 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -79.94 -32.07 40.01 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.4 m-20 -68.62 142.12 55.22 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.967 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -64.1 -15.12 58.98 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -81.98 -34.35 29.74 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.322 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 13.8 m -75.84 -45.43 35.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -46.51 50.15 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-O 117.665 -1.159 . . . . 0.0 113.966 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.3 mtm -62.89 135.97 57.6 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 124.455 1.097 . . . . 0.0 109.158 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.9 -40.61 4.68 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -12.79 4.57 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -127.52 -44.45 1.54 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 123.464 0.477 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.192 0 CA-C-O 116.212 -1.852 . . . . 0.0 112.504 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.82 -46.64 3.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 113.657 -1.611 . . . . 0.0 108.74 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m 149.45 -48.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 O-C-N 125.675 1.859 . . . . 0.0 107.987 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.8 m -79.26 0.38 28.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 123.982 0.801 . . . . 0.0 111.264 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.86 110.71 2.96 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -54.52 164.02 0.8 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -124.72 -61.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.191 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 m 50.47 26.25 2.28 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.501 1.126 . . . . 0.0 113.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -79.82 -38.86 32.01 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.481 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 m-20 -65.69 151.44 46.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 124.072 0.858 . . . . 0.0 111.67 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -64.15 -46.96 81.79 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.078 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -64.47 -16.9 63.25 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.484 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 92.2 m -93.73 0.86 56.59 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 123.862 0.726 . . . . 0.0 111.984 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 2.3 tptm -77.85 -48.76 15.69 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.647 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.452 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.9 mtp -44.46 136.87 3.97 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 124.764 1.29 . . . . 0.0 111.69 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -45.82 46.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.512 1.132 . . . . 0.0 113.495 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.93 -33.45 75.38 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 123.614 0.571 . . . . 0.0 110.145 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.1 m -102.22 24.79 9.68 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.427 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . . . . . . 0 N--CA 1.498 1.958 0 O-C-N 124.45 1.094 . . . . 0.0 108.741 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.84 -63.66 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.456 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.19 -37.87 56.15 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 114.401 -1.272 . . . . 0.0 112.375 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.6 m -123.42 2.12 9.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.774 1.296 . . . . 0.0 113.089 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -71.05 127.94 34.28 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HE ' ' HB3' ' A' ' 4' ' ' CYS . 2.7 mtt85 -47.26 116.56 1.44 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 124.397 1.061 . . . . 0.0 112.44 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 50.71 0.89 Allowed 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.568 1.175 . . . . 0.0 109.782 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -75.57 23.86 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 113.989 -1.46 . . . . 0.0 114.265 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.8 -21.98 43.65 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.009 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.568 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 4.0 m-20 -76.9 145.11 38.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.706 0.629 . . . . 0.0 112.196 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -67.01 -8.28 28.89 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.817 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.39 21.57 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.369 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 14.2 m -86.46 -40.65 15.12 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 123.999 0.812 . . . . 0.0 109.881 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 5.2 ttpt -40.52 -48.64 2.85 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.403 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 mtm -56.6 130.76 46.56 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 122.04 0.924 . . . . 0.0 111.406 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -54.06 -36.12 62.77 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 113.554 -1.657 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.8 p -53.49 -36.03 61.23 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.74 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.58 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 89.5 m -90.69 -44.83 9.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.799 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.399 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.5 t70 47.69 41.07 13.18 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 124.315 1.009 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -96.26 -51.99 4.17 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.24 -6.38 56.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.033 0.833 . . . . 0.0 111.367 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -65.59 113.56 4.29 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -61.68 164.48 6.04 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.232 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -134.71 -58.37 0.82 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.943 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.3 m 50.69 25.03 1.89 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.362 1.039 . . . . 0.0 112.231 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -79.88 -25.92 40.48 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.876 -1.056 . . . . 0.0 111.302 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.11 156.49 37.35 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.909 0.755 . . . . 0.0 111.675 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -64.07 -55.71 20.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -65.07 -16.04 63.02 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.8 m -92.42 -3.55 55.07 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 4.0 tmtm? -71.92 -49.2 39.72 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 118.863 -0.589 . . . . 0.0 111.355 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.447 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 46.4 mmm -43.29 147.29 0.39 Allowed 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -49.15 -54.4 16.51 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.391 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -62.72 -28.75 70.17 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 12.9 m -97.58 22.15 9.34 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.67 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.047 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.985 0.421 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.13 -178.62 5.67 Favored 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.929 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -81.36 -61.35 1.97 Allowed 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.1 m -79.98 -4.67 53.51 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -64.61 127.37 31.23 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.551 -1.26 . . . . 0.0 108.239 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -48.89 170.4 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -135.82 -65.99 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.012 -1.449 . . . . 0.0 108.98 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.0 m 52.92 13.59 0.37 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 124.419 1.075 . . . . 0.0 113.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.09 -35.2 37.27 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.493 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -63.58 143.96 57.4 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.861 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.67 -35.58 78.38 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -56.52 -18.7 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 113.88 -1.509 . . . . 0.0 113.276 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 4.0 m -84.29 -4.17 58.69 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 93.1 mttt -56.17 -41.82 76.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.431 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 67.4 mtp -63.02 110.27 1.75 Allowed 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 122.94 1.352 . . . . 0.0 111.995 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -58.99 -27.4 65.37 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.113 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -54.2 -35.77 62.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 123.619 0.574 . . . . 0.0 111.833 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.5 m -80.17 -44.25 20.17 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.236 -1.364 . . . . 0.0 111.489 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.85 -168.35 1.81 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 124.159 0.912 . . . . 0.0 110.643 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.5 -51.41 65.65 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.942 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.51 9.72 17.48 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -70.24 113.32 7.3 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.781 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.464 ' HA ' ' N ' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . 0.44 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' N ' ' HA ' ' A' ' 6' ' ' HYP . 46.5 mtt85 -48.37 141.21 6.85 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.336 1.023 . . . . 0.0 113.169 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -65.02 1.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 114.067 -1.424 . . . . 0.0 109.782 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 54.35 9.88 0.28 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.72 1.262 . . . . 0.0 113.135 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -80.04 -35.99 36.39 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.62 129.6 40.1 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -59.05 -12.74 5.18 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 123.549 0.531 . . . . 0.0 111.74 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -70.69 -31.46 68.35 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.259 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -11.47 37.04 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 123.747 0.654 . . . . 0.0 112.288 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -46.83 38.78 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.932 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.52 133.42 5.76 Favored 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -40.24 24.03 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.1 p -62.69 -12.57 24.44 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -119.67 -44.9 2.52 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 116.481 -1.724 . . . . 0.0 109.503 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.42 -167.59 1.21 Allowed 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.61 -56.37 16.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.696 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.48 -4.01 49.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 m -63.7 113.19 3.21 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.445 ' HA ' ' C ' ' A' ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . 0.445 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.41 161.64 4.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 123.524 0.515 . . . . 0.0 111.497 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LYS . 27.0 tptt -126.14 48.24 2.14 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.684 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -66.84 8.88 0.22 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.673 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 9' ' ' LYS . 3.3 ttmm -79.36 -25.4 42.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -86.79 126.81 34.86 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -55.09 -24.55 26.15 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.942 0.776 . . . . 0.0 111.297 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 ttp85 -57.8 -34.03 69.19 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.258 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.51 25.44 11.02 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 124.006 0.816 . . . . 0.0 112.136 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -72.19 -49.26 36.9 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.147 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.453 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -46.32 152.88 0.39 Allowed 'General case' 0 N--CA 1.502 2.169 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -55.86 -52.01 65.55 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.233 -1.349 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 p -61.47 -19.87 62.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 123.871 0.732 . . . . 0.0 112.065 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.2 m -116.71 21.91 13.07 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 124.192 0.932 . . . . 0.0 110.809 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 116.32 -1.8 . . . . 0.0 110.617 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.81 24.76 4.66 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-O 121.788 0.804 . . . . 0.0 111.21 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.73 -59.28 2.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.855 -1.52 . . . . 0.0 108.181 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.4 m -79.99 -0.29 34.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 123.97 0.794 . . . . 0.0 111.517 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -63.79 131.86 49.14 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -48.72 118.06 2.36 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 124.088 0.867 . . . . 0.0 112.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -79.75 -64.69 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.045 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.3 m 51.01 20.93 0.89 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 124.351 1.032 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -79.64 -47.62 15.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.05 133.45 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.473 1.108 . . . . 0.0 109.842 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -53.67 -27.7 29.17 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.045 0.841 . . . . 0.0 110.455 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -54.86 -31.76 59.97 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.242 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.37 13.24 24.28 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 18.4 mtpp -66.42 -43.97 84.2 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.179 -1.008 . . . . 0.0 111.464 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.47 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.8 mmm -46.64 143.66 2.62 Favored 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -50.61 61.81 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 124.624 1.202 . . . . 0.0 112.05 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 p -58.8 -27.44 65.05 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m -108.14 32.24 4.93 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 124.298 0.999 . . . . 0.0 109.541 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 115.816 -2.04 . . . . 0.0 109.669 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.769 0.318 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.26 43.28 18.84 Favored 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 122.337 1.065 . . . . 0.0 111.942 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 m -82.24 -68.42 0.7 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.213 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.16 8.49 8.67 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.236 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t -64.73 133.95 53.16 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 37.6 mtt85 -49.77 139.01 13.74 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.35 -56.3 4.29 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 8' ' ' ARG . 64.1 m 43.07 22.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.1 1.5 . . . . 0.0 114.958 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -31.76 13.24 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.97 139.77 43.19 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.004 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -68.32 -1.4 6.25 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -89.86 -38.37 13.78 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.622 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 m -85.55 -39.83 16.97 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -47.13 11.3 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 92.7 mtp -54.26 131.5 41.75 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -52.03 -23.23 4.89 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -18.03 64.06 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.65 -42.82 2.61 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 116.435 -1.745 . . . . 0.0 110.257 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.81 98.94 2.24 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.189 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -152.0 -42.96 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.6 m -105.45 -8.98 17.78 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.036 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -64.59 135.5 56.02 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 118.262 -0.875 . . . . 0.0 108.749 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -39.66 111.42 0.19 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 124.487 1.117 . . . . 0.0 112.708 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -85.53 47.39 1.42 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.537 ' SG ' ' HD3' ' A' ' 8' ' ' ARG . 89.5 m -80.25 59.87 3.53 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.721 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -128.78 -25.3 2.85 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 114.116 -1.402 . . . . 0.0 107.235 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.607 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 1.6 m-20 -74.6 145.92 42.93 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.601 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -64.72 -14.14 57.45 Favored 'General case' 0 N--CA 1.502 2.137 0 CA-C-O 121.526 0.679 . . . . 0.0 109.454 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.17 -22.46 58.03 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.499 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -92.56 -25.34 18.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.007 0.817 . . . . 0.0 112.906 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 3.3 mmtt -48.31 -39.48 21.95 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.663 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.481 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 86.4 mmm -52.89 126.07 19.1 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -58.73 -28.74 66.14 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-N 113.673 -1.603 . . . . 0.0 113.98 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 p -61.93 -31.02 71.3 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -99.29 -46.39 5.54 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 123.994 0.809 . . . . 0.0 109.876 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.433 0.635 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -156.72 171.1 20.96 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.742 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.74 -41.33 7.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 124.058 0.849 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -80.52 -11.74 59.63 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 t -58.15 130.11 45.11 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -51.08 164.5 0.16 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -111.05 -72.01 0.74 Allowed 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.775 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 50.94 16.25 0.32 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 124.525 1.141 . . . . 0.0 114.032 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -79.9 -20.39 45.93 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.21 140.09 31.15 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 113.826 -1.534 . . . . 0.0 109.351 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.88 -27.46 69.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.026 0.828 . . . . 0.0 109.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -74.57 -32.46 62.41 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.256 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -94.65 7.28 46.29 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.804 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 10.7 ttmt -77.69 -48.25 17.2 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.67 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.456 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.1 138.48 1.1 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 124.645 1.215 . . . . 0.0 113.571 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -55.04 -42.87 73.21 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 114.313 -1.312 . . . . 0.0 111.926 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -65.83 -32.03 73.33 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.7 m -92.25 16.81 10.74 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.778 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 116.134 -1.889 . . . . 0.0 111.323 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' HG3' ' H ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.952 0.406 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.24 -0.74 3.28 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.762 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -91.79 -46.64 7.77 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 123.98 0.8 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 1' ' ' ARG . 97.4 m -79.15 -4.13 48.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.036 0.835 . . . . 0.0 112.515 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -67.02 125.27 25.48 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -56.95 159.53 4.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 123.791 0.682 . . . . 0.0 112.237 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -110.03 -62.19 1.54 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 m 52.25 22.0 1.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 124.52 1.138 . . . . 0.0 112.88 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -84.7 -39.78 18.13 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.67 143.83 57.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.518 1.136 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -68.01 -21.52 65.03 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.689 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.7 -19.68 25.82 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 124.221 0.951 . . . . 0.0 108.827 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.8 m -94.79 -9.61 34.02 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 114.915 -1.038 . . . . 0.0 111.599 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 9.7 mmtp -77.77 -46.42 21.71 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.967 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.49 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.4 ' SD ' ' HD3' ' A' ' 1' ' ' ARG . 0.8 OUTLIER -50.05 145.12 6.07 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.851 1.344 . . . . 0.0 110.932 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -54.88 -44.43 74.08 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 124.104 0.877 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -61.26 -23.62 65.8 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.634 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 57.0 m -115.15 22.27 13.48 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.715 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 116.797 -1.573 . . . . 0.0 111.544 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 1' ' ' ARG . 7.6 tpm_? . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 122.301 1.048 . . . . 0.0 108.349 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.38 177.35 4.94 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-N 113.449 -1.705 . . . . 0.0 107.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.14 -35.63 79.37 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 119.366 -0.933 . . . . 0.0 111.234 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.3 m -79.74 -8.42 59.23 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m -62.41 105.39 0.61 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . 0.544 ' HA ' ' C ' ' A' ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . 0.544 ' C ' ' HA ' ' A' ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -61.18 170.59 1.61 Allowed 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.123 -0.944 . . . . 0.0 113.267 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -121.93 -66.47 1.04 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.188 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 m 55.73 26.37 9.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 124.232 0.957 . . . . 0.0 112.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -91.94 -5.05 53.83 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.734 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m-20 -105.44 147.46 28.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.522 0.514 . . . . 0.0 111.147 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -59.33 -25.97 64.64 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' C ' ' HE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -82.64 -24.57 33.73 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.562 1.164 . . . . 0.0 111.315 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 76.2 m -86.55 -40.92 14.75 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.773 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.0 OUTLIER -42.17 -49.09 4.91 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 123.956 0.785 . . . . 0.0 112.939 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.419 ' CD ' ' N ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.447 ' SD ' ' HA ' ' A' ' 15' ' ' CYS . 85.2 mtp -47.67 144.91 2.98 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 124.197 0.936 . . . . 0.0 110.236 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -51.06 -29.77 13.88 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.65 2.33 22.95 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.09 -40.41 0.75 Allowed 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.093 0 O-C-N 124.586 1.179 . . . . 0.0 111.671 -179.861 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -139.97 69.25 1.36 Allowed 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.536 ' SG ' ' HG3' ' A' ' 14' ' ' ARG . 1.7 m -161.15 -74.9 0.06 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 113.24 -1.8 . . . . 0.0 109.633 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.8 m -79.85 -1.69 40.17 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 114.376 -1.284 . . . . 0.0 111.502 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 t -65.89 129.68 40.64 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -56.1 139.87 45.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 123.761 0.663 . . . . 0.0 111.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -95.23 -54.3 3.47 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 15' ' ' CYS . 76.8 m 52.86 18.55 1.08 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.77 1.294 . . . . 0.0 114.24 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -84.39 -38.52 20.17 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.791 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 7.0 m-20 -70.52 143.14 51.75 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.751 -1.113 . . . . 0.0 113.748 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.05 -10.7 15.22 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 113.851 -1.522 . . . . 0.0 111.646 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.536 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 1.9 ptm180 -86.78 -28.4 23.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 123.877 0.735 . . . . 0.0 111.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -86.39 -40.11 15.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.619 0.574 . . . . 0.0 112.006 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.08 -42.35 18.64 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.305 1.595 . . . . 0.0 115.305 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.96 133.07 50.95 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 124.076 0.86 . . . . 0.0 110.24 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -46.21 -32.7 3.17 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -23.89 29.48 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -114.72 -43.01 3.18 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 116.595 -1.669 . . . . 0.0 108.635 179.848 . . . . . . . . 0 0 . 1 stop_ save_