data_1bo0_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 1bo0 _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 full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 108.184 -1.043 . . . . 13.789999999999999 108.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -82.89 -162.03 0.16 Allowed 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.15 1.9 . . . . 14.449999999999999 112.221 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 m -83.85 -7.64 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.5 0 C-N-CA 119.125 -1.03 . . . . 11.710000000000001 110.932 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.12 -11.99 0.03 OUTLIER Glycine 0 N--CA 1.506 3.319 0 O-C-N 121.362 -0.836 . . . . 9.7400000000000002 114.022 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.37 100.13 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-N 119.601 1.701 . . . . 9.1099999999999994 108.551 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.36 163.7 21.55 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 122.302 1.048 . . . . 9.5399999999999991 111.523 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -93.24 71.36 4.49 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.446 -1.687 . . . . 7.5999999999999996 106.446 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.3 p -149.42 -177.2 5.72 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.268 0.556 . . . . 6.0199999999999996 110.458 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -173.49 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.654 0.74 . . . . 4.9400000000000004 110.866 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -159.65 -166.04 1.67 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.171 -0.678 . . . . 3.8300000000000001 109.171 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.47 -177.27 3.75 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.506 -0.747 . . . . 1.49 111.01 -179.744 -67.398 -115.042 -177.903 104.127 2.019 104.137 71.876 -154.001 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.0 p -153.25 126.41 8.51 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.972 -0.751 . . . . 0.63 108.972 179.43 55.661 171.011 -107.207 104.134 2.021 103.962 -151.078 -71.252 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -96.38 24.44 5.81 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.4 -0.813 . . . . 5.6699999999999999 111.745 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.31 120.09 33.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.326 -0.859 . . . . 3.5499999999999998 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.54 111.0 23.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.734 -0.839 . . . . 2.3399999999999999 108.734 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.7 mt -99.2 118.7 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.651 -0.655 . . . . 1.9099999999999999 110.133 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -97.67 20.38 12.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.573 -0.704 . . . . 2.8300000000000001 110.465 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -100.21 160.14 14.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.343 -0.848 . . . . 3.3500000000000001 110.483 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -60.99 148.26 40.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.632 -0.667 . . . . 3.4900000000000002 110.853 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.3 mt -104.1 143.35 26.49 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.8 -0.815 . . . . 1.1799999999999999 108.8 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.14 99.55 0.69 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.123 1.065 . . . . 1.04 110.913 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -58.36 -40.0 81.06 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.522 -0.736 . . . . 3.0 110.02 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -37.72 81.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.629 -0.67 . . . . 3.1499999999999999 110.4 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -90.43 -2.03 57.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.406 -0.809 . . . . 2.6699999999999999 111.147 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 43' ' ' PHE . 19.9 mt -84.47 116.62 23.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 1.3600000000000001 109.463 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -114.36 -34.58 5.24 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.443 -0.786 . . . . 2.0600000000000001 110.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -161.45 -177.92 6.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.809 -0.557 . . . . 1.8500000000000001 109.721 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.43 ' CE1' ' HA ' ' A' ' 64' ' ' MET . 45.8 p90 -160.96 135.44 7.25 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 120.007 -0.677 . . . . 2.29 110.662 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' CG ' ' HB ' ' A' ' 42' ' ' ILE . 14.3 ptm180 -103.75 145.83 29.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 120.002 -0.679 . . . . 2.7400000000000002 109.29 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -105.66 152.16 23.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.259 -0.901 . . . . 2.7799999999999998 111.087 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -82.28 167.98 18.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.712 -0.617 . . . . 2.0 109.791 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.9 m -95.15 122.2 37.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.508 -0.745 . . . . 2.29 110.306 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.7 m -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.454 -0.778 . . . . 1.95 110.807 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -63.68 -39.96 95.62 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.533 -0.729 . . . . 1.8300000000000001 111.347 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -94.53 -28.7 15.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.356 -0.84 . . . . 2.6299999999999999 110.534 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 t -95.29 135.35 23.38 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.608 -0.683 . . . . 0.81000000000000005 110.277 -179.973 -154.001 71.876 -177.903 104.137 2.019 104.127 -115.042 -67.398 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -75.72 -22.71 13.33 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.408 1.215 . . . . 1.53 110.417 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -128.82 122.52 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.814 . . . . 3.98 110.534 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.33 131.0 43.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 2.2599999999999998 109.973 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.34 153.41 41.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.618 -0.676 . . . . 1.1000000000000001 109.868 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -105.87 138.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 109.033 -0.729 . . . . 1.1000000000000001 109.033 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' HB ' ' CG ' ' A' ' 29' ' ' ARG . 84.6 mt -112.27 128.29 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.376 -0.972 . . . . 1.3400000000000001 108.376 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' HD23 ' A' ' 25' ' ' LEU . 41.5 m-85 -96.73 128.12 43.37 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.795 -0.762 . . . . 2.1899999999999999 109.126 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -99.78 124.26 44.87 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.438 0.637 . . . . 2.8100000000000001 109.94 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.4 m -101.22 168.92 9.25 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.711 -0.618 . . . . 1.8700000000000001 111.184 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.96 -24.9 67.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.624 -0.673 . . . . 3.52 111.254 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.53 29.95 2.43 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.345 -0.847 . . . . 2.3300000000000001 110.642 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 53.97 37.05 25.92 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.402 -0.811 . . . . 1.3799999999999999 110.427 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -104.33 109.22 20.98 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.766 -0.827 . . . . 2.9100000000000001 108.766 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.52 122.46 42.63 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 120.246 -0.582 . . . . 1.6200000000000001 109.975 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -122.22 126.11 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.655 -0.653 . . . . 2.0 109.923 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -76.99 144.14 38.92 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.732 -0.605 . . . . 0.71999999999999997 110.312 -179.462 -71.252 -151.078 -107.207 103.962 2.021 104.134 171.011 55.661 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.71 137.22 48.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 1.1299999999999999 109.798 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -59.33 118.79 33.58 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.634 -0.666 . . . . 1.3700000000000001 110.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -81.0 94.9 0.97 Allowed 'Trans proline' 0 C--N 1.32 -0.931 0 O-C-N 123.102 1.054 . . . . 1.1899999999999999 109.936 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 m -153.61 -49.91 0.09 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.59 -0.694 . . . . 2.21 110.094 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.438 ' HB2' ' CD1' ' A' ' 59' ' ' TRP . 95.6 mt-30 -86.93 145.47 26.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.656 -0.653 . . . . 2.4300000000000002 110.444 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.34 -26.4 67.79 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.468 0.914 . . . . 3.77 113.468 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.438 ' CD1' ' HB2' ' A' ' 57' ' ' GLN . 3.0 p-90 -48.86 -40.01 27.95 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.688 -1.257 . . . . 0.69999999999999996 112.691 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 ' NE1' ' A' ' 59' ' ' TRP . 24.3 m -74.59 -40.55 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.809 -1.182 . . . . 1.1200000000000001 108.161 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -60.3 -39.33 86.55 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.84 -41.55 99.39 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.805 -0.813 . . . . 1.24 108.805 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 59' ' ' TRP . 12.3 m-85 -64.67 -39.23 93.32 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.125 -0.694 . . . . 2.1200000000000001 109.125 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.43 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 66.9 mtt -58.23 -39.87 80.19 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 1.1799999999999999 110.073 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.06 -46.99 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.305 -0.872 . . . . 2.5499999999999998 109.13 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -66.25 -39.81 89.74 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.631 0.729 . . . . 2.3500000000000001 109.311 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 63' ' ' PHE . 48.1 mt -65.59 -38.95 90.96 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.761 -0.587 . . . . 2.5 110.675 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' LYS . 95.9 m-20 -61.41 -41.17 96.72 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.747 . . . . 1.3300000000000001 111.84 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 44.04 -90.24 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 O-C-N 121.757 -0.589 . . . . 4.4800000000000004 111.55 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' ASP . 31.2 mtmm -79.32 134.79 36.61 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.113 -0.992 . . . . 7.3300000000000001 109.715 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 93.2 m -151.04 -73.76 0.16 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 6.4699999999999998 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.2 140.6 29.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.46 -0.775 . . . . 8.7400000000000002 110.386 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.3 p -92.85 117.17 67.46 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.52 -0.737 . . . . 8.3699999999999992 110.388 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -77.79 64.4 8.17 Favored 'Trans proline' 0 N--CA 1.485 0.995 0 O-C-N 123.112 1.059 . . . . 8.4100000000000001 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -75.24 149.62 38.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.454 -0.779 . . . . 11.800000000000001 109.706 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.9 tp . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.95 -1.024 . . . . 12.15 110.145 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 108.184 -1.043 . . . . 13.66 108.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -82.89 -162.03 0.16 Allowed 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.15 1.9 . . . . 13.65 112.221 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 m -83.85 -7.64 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.5 0 C-N-CA 119.125 -1.03 . . . . 11.4 110.932 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.12 -11.99 0.03 OUTLIER Glycine 0 N--CA 1.506 3.319 0 O-C-N 121.362 -0.836 . . . . 9.48 114.022 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' H ' HD12 ' A' ' 5' ' ' ILE . 4.6 mp -76.37 100.13 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-N 119.601 1.701 . . . . 8.94 108.551 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.36 163.7 21.55 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 122.302 1.048 . . . . 8.95 111.523 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -93.24 71.36 4.49 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.446 -1.687 . . . . 7.27 106.446 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.3 p -149.42 -177.2 5.72 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.268 0.556 . . . . 5.7 110.458 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.709 HG21 ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -87.77 -173.49 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.654 0.74 . . . . 4.71 110.866 -179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -159.65 -166.04 1.67 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.171 -0.678 . . . . 3.43 109.171 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.47 -177.27 3.75 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.506 -0.747 . . . . 1.18 111.01 -179.744 -67.398 -115.042 -177.903 104.127 2.019 104.137 71.876 -154.001 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.0 p -153.25 126.41 8.51 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.972 -0.751 . . . . 0.48 108.972 179.43 55.661 171.011 -107.207 104.134 2.021 103.962 -151.078 -71.252 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -96.38 24.44 5.81 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.4 -0.813 . . . . 5.2 111.745 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.31 120.09 33.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.326 -0.859 . . . . 3.05 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.54 111.0 23.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.734 -0.839 . . . . 1.48 108.734 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 18' ' ' LYS . 88.7 mt -99.2 118.7 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.651 -0.655 . . . . 1.16 110.133 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -97.67 20.38 12.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.573 -0.704 . . . . 2.4 110.465 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' H ' HG22 ' A' ' 16' ' ' ILE . 95.0 mttt -100.21 160.14 14.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.343 -0.848 . . . . 2.97 110.483 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -60.99 148.26 40.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.632 -0.667 . . . . 3.06 110.853 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.766 HG22 HD11 ' A' ' 25' ' ' LEU . 73.3 mt -104.1 143.35 26.49 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.8 -0.815 . . . . 0.51 108.8 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 20' ' ' ILE . 42.1 Cg_endo -69.14 99.55 0.69 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.123 1.065 . . . . 0.88 110.913 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 25' ' ' LEU . 84.5 tttt -58.36 -40.0 81.06 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.522 -0.736 . . . . 2.52 110.02 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -37.72 81.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.629 -0.67 . . . . 2.72 110.4 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 45' ' ' THR . 92.4 mtt180 -90.43 -2.03 57.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.406 -0.809 . . . . 2.23 111.147 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.903 ' HB3' HD21 ' A' ' 67' ' ' LEU . 19.9 mt -84.47 116.62 23.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.71 109.463 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -114.36 -34.58 5.24 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.443 -0.786 . . . . 2.06 110.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -161.45 -177.92 6.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.809 -0.557 . . . . 1.54 109.721 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HA ' ' A' ' 64' ' ' MET . 45.8 p90 -160.96 135.44 7.25 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 120.007 -0.677 . . . . 1.38 110.662 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.709 ' NH2' HG21 ' A' ' 9' ' ' THR . 14.3 ptm180 -103.75 145.83 29.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 120.002 -0.679 . . . . 2.33 109.29 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -105.66 152.16 23.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.259 -0.901 . . . . 2.39 111.087 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.487 HG21 ' SG ' ' A' ' 36' ' ' CYS . 1.3 m -82.28 167.98 18.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.712 -0.617 . . . . 1.54 109.791 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.9 m -95.15 122.2 37.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.508 -0.745 . . . . 1.69 110.306 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.7 m -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.454 -0.778 . . . . 1.65 110.807 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -63.68 -39.96 95.62 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.533 -0.729 . . . . 1.55 111.347 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -94.53 -28.7 15.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.356 -0.84 . . . . 1.96 110.534 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' HG21 ' A' ' 31' ' ' THR . 3.4 t -95.29 135.35 23.38 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.608 -0.683 . . . . 0.77 110.277 -179.973 -154.001 71.876 -177.903 104.137 2.019 104.127 -115.042 -67.398 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -75.72 -22.71 13.33 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.408 1.215 . . . . 1.26 110.417 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -128.82 122.52 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.814 . . . . 3.41 110.534 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.33 131.0 43.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 2.26 109.973 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.34 153.41 41.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.618 -0.676 . . . . 0.3 109.868 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 53' ' ' ALA . 11.2 m -105.87 138.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 109.033 -0.729 . . . . 0.32 109.033 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.43 HD12 ' HG3' ' A' ' 29' ' ' ARG . 84.6 mt -112.27 128.29 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.376 -0.972 . . . . 0.67 108.376 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 25' ' ' LEU . 41.5 m-85 -96.73 128.12 43.37 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.795 -0.762 . . . . 1.27 109.126 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -99.78 124.26 44.87 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.438 0.637 . . . . 2.3 109.94 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 46' ' ' LYS . 35.4 m -101.22 168.92 9.25 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.711 -0.618 . . . . 1.23 111.184 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' N ' HG22 ' A' ' 45' ' ' THR . 98.1 mttt -61.96 -24.9 67.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.624 -0.673 . . . . 2.91 111.254 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.53 29.95 2.43 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.345 -0.847 . . . . 1.68 110.642 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 53.97 37.05 25.92 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.402 -0.811 . . . . 1.38 110.427 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -104.33 109.22 20.98 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.766 -0.827 . . . . 2.46 108.766 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 97.9 mt-10 -99.52 122.46 42.63 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 120.246 -0.582 . . . . 1.62 109.975 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -122.22 126.11 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.655 -0.653 . . . . 1.34 109.923 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -76.99 144.14 38.92 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.732 -0.605 . . . . 0.44 110.312 -179.462 -71.252 -151.078 -107.207 103.962 2.021 104.134 171.011 55.661 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -131.71 137.22 48.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 0.44 109.798 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -59.33 118.79 33.58 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.634 -0.666 . . . . 1.37 110.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HB3' HG13 ' A' ' 41' ' ' VAL . 52.3 Cg_endo -81.0 94.9 0.97 Allowed 'Trans proline' 0 C--N 1.32 -0.931 0 O-C-N 123.102 1.054 . . . . 1.19 109.936 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 m -153.61 -49.91 0.09 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.59 -0.694 . . . . 1.62 110.094 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.466 ' HB2' ' CD1' ' A' ' 59' ' ' TRP . 95.6 mt-30 -86.93 145.47 26.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.656 -0.653 . . . . 2.03 110.444 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.34 -26.4 67.79 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.468 0.914 . . . . 3.38 113.468 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.644 ' NE1' HG13 ' A' ' 60' ' ' VAL . 3.0 p-90 -48.86 -40.01 27.95 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.688 -1.257 . . . . 0.62 112.691 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.644 HG13 ' NE1' ' A' ' 59' ' ' TRP . 24.3 m -74.59 -40.55 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.809 -1.182 . . . . 0.39 108.161 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' N ' HG23 ' A' ' 60' ' ' VAL . 90.9 mt-30 -60.3 -39.33 86.55 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.916 -1.142 . . . . 0.88 107.916 177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.84 -41.55 99.39 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.805 -0.813 . . . . 1.24 108.805 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 12.3 m-85 -64.67 -39.23 93.32 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.125 -0.694 . . . . 1.27 109.125 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.452 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 66.9 mtt -58.23 -39.87 80.19 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.56 110.073 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.06 -46.99 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.305 -0.872 . . . . 2.04 109.13 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -66.25 -39.81 89.74 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.631 0.729 . . . . 1.42 109.311 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD21 ' HB3' ' A' ' 25' ' ' LEU . 48.1 mt -65.59 -38.95 90.96 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.761 -0.587 . . . . 1.91 110.675 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' LYS . 95.9 m-20 -61.41 -41.17 96.72 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.747 . . . . 1.33 111.84 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 44.04 -90.24 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 O-C-N 121.757 -0.589 . . . . 4.01 111.55 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' ASP . 31.2 mtmm -79.32 134.79 36.61 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.113 -0.992 . . . . 6.95 109.715 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 93.2 m -151.04 -73.76 0.16 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 6.47 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.2 140.6 29.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.46 -0.775 . . . . 8.18 110.386 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.3 p -92.85 117.17 67.46 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.52 -0.737 . . . . 8.06 110.388 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -77.79 64.4 8.17 Favored 'Trans proline' 0 N--CA 1.485 0.995 0 O-C-N 123.112 1.059 . . . . 8.39 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -75.24 149.62 38.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.454 -0.779 . . . . 11.38 109.706 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.9 tp . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.95 -1.024 . . . . 11.87 110.145 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 108.184 -1.043 . . . . 13.66 108.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -82.89 -162.03 0.16 Allowed 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.15 1.9 . . . . 13.65 112.221 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 m -83.85 -7.64 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.5 0 C-N-CA 119.125 -1.03 . . . . 11.4 110.932 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.12 -11.99 0.03 OUTLIER Glycine 0 N--CA 1.506 3.319 0 O-C-N 121.362 -0.836 . . . . 9.48 114.022 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' H ' HD12 ' A' ' 5' ' ' ILE . 4.6 mp -76.37 100.13 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 CA-C-N 119.601 1.701 . . . . 8.94 108.551 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.36 163.7 21.55 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 122.302 1.048 . . . . 8.95 111.523 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.8 p -93.24 71.36 4.49 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.446 -1.687 . . . . 7.27 106.446 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.3 p -149.42 -177.2 5.72 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.268 0.556 . . . . 5.7 110.458 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.709 HG21 ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -87.77 -173.49 4.33 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.654 0.74 . . . . 4.71 110.866 -179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -159.65 -166.04 1.67 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.171 -0.678 . . . . 3.43 109.171 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.7 m -97.47 -177.27 3.75 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.506 -0.747 . . . . 1.18 111.01 -179.744 -67.398 -115.042 -177.903 104.127 2.019 104.137 71.876 -154.001 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.0 p -153.25 126.41 8.51 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.972 -0.751 . . . . 0.48 108.972 179.43 55.661 171.011 -107.207 104.134 2.021 103.962 -151.078 -71.252 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -96.38 24.44 5.81 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.4 -0.813 . . . . 5.2 111.745 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -93.31 120.09 33.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.326 -0.859 . . . . 3.05 110.547 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.54 111.0 23.37 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.734 -0.839 . . . . 1.48 108.734 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 18' ' ' LYS . 88.7 mt -99.2 118.7 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.651 -0.655 . . . . 1.16 110.133 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -97.67 20.38 12.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.573 -0.704 . . . . 2.4 110.465 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' H ' HG22 ' A' ' 16' ' ' ILE . 95.0 mttt -100.21 160.14 14.56 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.343 -0.848 . . . . 2.97 110.483 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -60.99 148.26 40.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.632 -0.667 . . . . 3.06 110.853 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.766 HG22 HD11 ' A' ' 25' ' ' LEU . 73.3 mt -104.1 143.35 26.49 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.8 -0.815 . . . . 0.51 108.8 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 20' ' ' ILE . 42.1 Cg_endo -69.14 99.55 0.69 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.123 1.065 . . . . 0.88 110.913 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 25' ' ' LEU . 84.5 tttt -58.36 -40.0 81.06 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.522 -0.736 . . . . 2.52 110.02 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.21 -37.72 81.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.629 -0.67 . . . . 2.72 110.4 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 45' ' ' THR . 92.4 mtt180 -90.43 -2.03 57.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.406 -0.809 . . . . 2.23 111.147 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.903 ' HB3' HD21 ' A' ' 67' ' ' LEU . 19.9 mt -84.47 116.62 23.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.71 109.463 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -114.36 -34.58 5.24 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.443 -0.786 . . . . 2.06 110.077 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 p -161.45 -177.92 6.29 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.809 -0.557 . . . . 1.54 109.721 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HA ' ' A' ' 64' ' ' MET . 45.8 p90 -160.96 135.44 7.25 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 120.007 -0.677 . . . . 1.38 110.662 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.709 ' NH2' HG21 ' A' ' 9' ' ' THR . 14.3 ptm180 -103.75 145.83 29.51 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 120.002 -0.679 . . . . 2.33 109.29 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -105.66 152.16 23.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.259 -0.901 . . . . 2.39 111.087 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.487 HG21 ' SG ' ' A' ' 36' ' ' CYS . 1.3 m -82.28 167.98 18.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.712 -0.617 . . . . 1.54 109.791 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.448 HG21 ' HD2' ' A' ' 35' ' ' HIS . 27.9 m -95.15 122.2 37.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.508 -0.745 . . . . 1.69 110.306 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.7 m -62.54 -38.52 90.34 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.454 -0.778 . . . . 1.65 110.807 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -63.68 -39.96 95.62 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.533 -0.729 . . . . 1.55 111.347 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HD2' HG21 ' A' ' 32' ' ' THR . 88.6 m-70 -94.53 -28.7 15.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.356 -0.84 . . . . 1.96 110.534 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' HG21 ' A' ' 31' ' ' THR . 3.4 t -95.29 135.35 23.38 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.608 -0.683 . . . . 0.77 110.277 -179.973 -154.001 71.876 -177.903 104.137 2.019 104.127 -115.042 -67.398 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -75.72 -22.71 13.33 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.408 1.215 . . . . 1.26 110.417 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -128.82 122.52 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.814 . . . . 3.41 110.534 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -70.33 131.0 43.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 2.26 109.973 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.34 153.41 41.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.618 -0.676 . . . . 0.3 109.868 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 53' ' ' ALA . 11.2 m -105.87 138.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 109.033 -0.729 . . . . 0.32 109.033 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.43 HD12 ' HG3' ' A' ' 29' ' ' ARG . 84.6 mt -112.27 128.29 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.376 -0.972 . . . . 0.67 108.376 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 25' ' ' LEU . 41.5 m-85 -96.73 128.12 43.37 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.795 -0.762 . . . . 1.27 109.126 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -99.78 124.26 44.87 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.438 0.637 . . . . 2.3 109.94 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 46' ' ' LYS . 35.4 m -101.22 168.92 9.25 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.711 -0.618 . . . . 1.23 111.184 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' N ' HG22 ' A' ' 45' ' ' THR . 98.1 mttt -61.96 -24.9 67.29 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.624 -0.673 . . . . 2.91 111.254 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.53 29.95 2.43 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.345 -0.847 . . . . 1.68 110.642 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 53.97 37.05 25.92 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.402 -0.811 . . . . 1.38 110.427 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -104.33 109.22 20.98 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.766 -0.827 . . . . 2.46 108.766 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 97.9 mt-10 -99.52 122.46 42.63 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 120.246 -0.582 . . . . 1.62 109.975 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.1 mt -122.22 126.11 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.655 -0.653 . . . . 1.34 109.923 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -76.99 144.14 38.92 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.732 -0.605 . . . . 0.44 110.312 -179.462 -71.252 -151.078 -107.207 103.962 2.021 104.134 171.011 55.661 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -131.71 137.22 48.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 0.44 109.798 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -59.33 118.79 33.58 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.634 -0.666 . . . . 1.37 110.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HB3' HG13 ' A' ' 41' ' ' VAL . 52.3 Cg_endo -81.0 94.9 0.97 Allowed 'Trans proline' 0 C--N 1.32 -0.931 0 O-C-N 123.102 1.054 . . . . 1.19 109.936 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 m -153.61 -49.91 0.09 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.59 -0.694 . . . . 1.62 110.094 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.466 ' HB2' ' CD1' ' A' ' 59' ' ' TRP . 95.6 mt-30 -86.93 145.47 26.53 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.656 -0.653 . . . . 2.03 110.444 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.34 -26.4 67.79 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.468 0.914 . . . . 3.38 113.468 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.644 ' NE1' HG13 ' A' ' 60' ' ' VAL . 3.0 p-90 -48.86 -40.01 27.95 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 120.688 -1.257 . . . . 0.62 112.691 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.644 HG13 ' NE1' ' A' ' 59' ' ' TRP . 24.3 m -74.59 -40.55 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.809 -1.182 . . . . 0.39 108.161 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' N ' HG23 ' A' ' 60' ' ' VAL . 90.9 mt-30 -60.3 -39.33 86.55 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.916 -1.142 . . . . 0.88 107.916 177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -62.84 -41.55 99.39 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.805 -0.813 . . . . 1.24 108.805 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.41 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 12.3 m-85 -64.67 -39.23 93.32 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.125 -0.694 . . . . 1.27 109.125 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.452 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 66.9 mtt -58.23 -39.87 80.19 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.56 110.073 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.06 -46.99 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.305 -0.872 . . . . 2.04 109.13 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -66.25 -39.81 89.74 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.631 0.729 . . . . 1.42 109.311 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD21 ' HB3' ' A' ' 25' ' ' LEU . 48.1 mt -65.59 -38.95 90.96 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.761 -0.587 . . . . 1.91 110.675 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 70' ' ' LYS . 95.9 m-20 -61.41 -41.17 96.72 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.747 . . . . 1.33 111.84 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 44.04 -90.24 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 O-C-N 121.757 -0.589 . . . . 4.01 111.55 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' ASP . 31.2 mtmm -79.32 134.79 36.61 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.113 -0.992 . . . . 6.95 109.715 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 93.2 m -151.04 -73.76 0.16 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 6.47 110.915 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -88.2 140.6 29.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.46 -0.775 . . . . 8.18 110.386 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.3 p -92.85 117.17 67.46 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.52 -0.737 . . . . 8.06 110.388 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -77.79 64.4 8.17 Favored 'Trans proline' 0 N--CA 1.485 0.995 0 O-C-N 123.112 1.059 . . . . 8.39 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -75.24 149.62 38.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.454 -0.779 . . . . 11.38 109.706 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.9 tp . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.95 -1.024 . . . . 11.87 110.145 -179.971 . . . . . . . . 0 0 . 1 stop_ save_